N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide

C20H34N4O2 — CID 128984569

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)CCC1CCCCO1
InChIInChI=1S/C20H34N4O2/c1-22-11-6-7-16(20(22)17-13-21-24(3)15-17)14-23(2)19(25)10-9-18-8-4-5-12-26-18/h13,15-16,18,20H,4-12,14H2,1-3H3/t16-,18?,20+/m0/s1
InChIKeyYXDAJCTZHGIVJU-LYNLNPNLSA-N
MW362.52 g/mol
LogP2.61
Rot. Bonds6

About N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide

N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide (PubChem CID 128984569) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
PubChem CID128984569
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)CCC1CCCCO1
InChIInChI=1S/C20H34N4O2/c1-22-11-6-7-16(20(22)17-13-21-24(3)15-17)14-23(2)19(25)10-9-18-8-4-5-12-26-18/h13,15-16,18,20H,4-12,14H2,1-3H3/t16-,18?,20+/m0/s1
InChIKeyYXDAJCTZHGIVJU-LYNLNPNLSA-N
XLogP2.61
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-3-(oxan-2-yl)propanamide
CID 129000677
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
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
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]-3,4-dihydro-2H-pyran-5-carboxamide
CID 128967456
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 128995979
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide
CID 129006575
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-(5-methyl-2-pyridinyl)urea
CID 128965369
4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 128998259
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
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 128997868

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-(oxan-2-yl)propanamide?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide (CID 128984569) is N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide is CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)CCC1CCCCO1.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide?
The InChIKey is YXDAJCTZHGIVJU-LYNLNPNLSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-22-11-6-7-16(20(22)17-13-21-24(3)15-17)14-23(2)19(25)10-9-18-8-4-5-12-26-18/h13,15-16,18,20H,4-12,14H2,1-3H3/t16-,18?,20+/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-(oxan-2-yl)propanamide?
N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-3-(oxan-2-yl)propanamide has a molecular weight of 362.52 g/mol, XLogP of 2.61, 6 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-(oxan-2-yl)propanamide is sourced from PubChem (CID 128984569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).