(3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C19H28N6O2 — CID 125439338

IUPAC(3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)NC3CCN(Cc4ccco4)CC3)C2)n[nH]1
InChIInChI=1S/C19H28N6O2/c1-14-20-18(23-22-14)15-4-2-8-25(12-15)19(26)21-16-6-9-24(10-7-16)13-17-5-3-11-27-17/h3,5,11,15-16H,2,4,6-10,12-13H2,1H3,(H,21,26)(H,20,22,23)/t15-/m1/s1
InChIKeyALOJVDSQULTCMG-OAHLLOKOSA-N
MW372.47 g/mol
LogP2.26
Rot. Bonds4

About (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide

(3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 125439338) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID125439338
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name(3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)NC3CCN(Cc4ccco4)CC3)C2)n[nH]1
InChIInChI=1S/C19H28N6O2/c1-14-20-18(23-22-14)15-4-2-8-25(12-15)19(26)21-16-6-9-24(10-7-16)13-17-5-3-11-27-17/h3,5,11,15-16H,2,4,6-10,12-13H2,1H3,(H,21,26)(H,20,22,23)/t15-/m1/s1
InChIKeyALOJVDSQULTCMG-OAHLLOKOSA-N
XLogP2.26
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
(3R)-N-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321201
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]-2-methoxyacetamide
CID 91921019
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 75451642
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151
[1-(furan-2-ylmethyl)piperidin-4-yl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70758520
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 119072353
(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 125138168

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 125439338) is (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cc1nc([C@@H]2CCCN(C(=O)NC3CCN(Cc4ccco4)CC3)C2)n[nH]1.
What is the InChIKey of (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is ALOJVDSQULTCMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-14-20-18(23-22-14)15-4-2-8-25(12-15)19(26)21-16-6-9-24(10-7-16)13-17-5-3-11-27-17/h3,5,11,15-16H,2,4,6-10,12-13H2,1H3,(H,21,26)(H,20,22,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
(3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125439338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).