(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide

C21H34N6O2 — CID 95557482

IUPAC(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCCn1cnnc1CN(C)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H34N6O2/c1-3-25-15-22-23-19(25)14-24(2)20(28)17-5-4-10-27(13-17)18-8-11-26(12-9-18)21(29)16-6-7-16/h15-18H,3-14H2,1-2H3/t17-/m1/s1
InChIKeyAHZGIMWQLMFEIS-QGZVFWFLSA-N
MW402.54 g/mol
LogP1.37
Rot. Bonds6

About (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide

(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 95557482) has the molecular formula C21H34N6O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID95557482
Molecular FormulaC21H34N6O2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC Name(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCCn1cnnc1CN(C)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C21H34N6O2/c1-3-25-15-22-23-19(25)14-24(2)20(28)17-5-4-10-27(13-17)18-8-11-26(12-9-18)21(29)16-6-7-16/h15-18H,3-14H2,1-2H3/t17-/m1/s1
InChIKeyAHZGIMWQLMFEIS-QGZVFWFLSA-N
XLogP1.37
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 56876106
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-3-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 56860933
N-(3-cyclopentylpropyl)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 45204711
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 26405433
(3S)-1-[(4-chlorophenyl)methyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42244089
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56862639
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171232
[(3R)-1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95220320
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56864333
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 95539357

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide (CID 95557482) is (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide is CCn1cnnc1CN(C)C(=O)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is AHZGIMWQLMFEIS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H34N6O2/c1-3-25-15-22-23-19(25)14-24(2)20(28)17-5-4-10-27(13-17)18-8-11-26(12-9-18)21(29)16-6-7-16/h15-18H,3-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide?
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95557482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).