N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide

C18H28N4O2 — CID 128967456

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)C1=COCCC1
InChIInChI=1S/C18H28N4O2/c1-20-8-4-6-14(17(20)16-10-19-22(3)12-16)11-21(2)18(23)15-7-5-9-24-13-15/h10,12-14,17H,4-9,11H2,1-3H3/t14-,17+/m0/s1
InChIKeyTZCKQOCKLSJGMQ-WMLDXEAASA-N
MW332.45 g/mol
LogP1.96
Rot. Bonds4

About N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide

N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 128967456) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID128967456
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)C1=COCCC1
InChIInChI=1S/C18H28N4O2/c1-20-8-4-6-14(17(20)16-10-19-22(3)12-16)11-21(2)18(23)15-7-5-9-24-13-15/h10,12-14,17H,4-9,11H2,1-3H3/t14-,17+/m0/s1
InChIKeyTZCKQOCKLSJGMQ-WMLDXEAASA-N
XLogP1.96
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 128998259
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 128995979
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 129340224
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
CID 128984569
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[2-(oxolan-2-yl)ethyl]urea
CID 128968430
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 129004021
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 129329250
3-(furan-2-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]propanamide
CID 129006514
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 128997868
3-[(1R)-cyclohex-2-en-1-yl]-1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]urea
CID 129331565
1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-pyridin-3-ylurea
CID 128996441
(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 129340191

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 128967456) is N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide is CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)C1=COCCC1.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is TZCKQOCKLSJGMQ-WMLDXEAASA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20-8-4-6-14(17(20)16-10-19-22(3)12-16)11-21(2)18(23)15-7-5-9-24-13-15/h10,12-14,17H,4-9,11H2,1-3H3/t14-,17+/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 128967456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).