[(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C19H30N6O2 — CID 72841531

IUPAC[(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3CNC[C@H](C(=O)N4CCCC4)C3)CC2)n[nH]1
InChIInChI=1S/C19H30N6O2/c1-13-21-17(23-22-13)14-4-8-25(9-5-14)19(27)16-10-15(11-20-12-16)18(26)24-6-2-3-7-24/h14-16,20H,2-12H2,1H3,(H,21,22,23)/t15-,16-/m1/s1
InChIKeyFHFPFGNLBXDPFZ-HZPDHXFCSA-N
MW374.49 g/mol
LogP0.67
Rot. Bonds3

About [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72841531) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID72841531
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name[(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C2CCN(C(=O)[C@H]3CNC[C@H](C(=O)N4CCCC4)C3)CC2)n[nH]1
InChIInChI=1S/C19H30N6O2/c1-13-21-17(23-22-13)14-4-8-25(9-5-14)19(27)16-10-15(11-20-12-16)18(26)24-6-2-3-7-24/h14-16,20H,2-12H2,1H3,(H,21,22,23)/t15-,16-/m1/s1
InChIKeyFHFPFGNLBXDPFZ-HZPDHXFCSA-N
XLogP0.67
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72868537
2-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72877738
1-ethyl-3-methyl-N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]-3-piperidinecarboxamide
CID 72896844
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
cyclohexyl[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192128
(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)-N-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 72867922
4-[((3S*,5R*)-5-{[4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]carbonyl}piperidin-3-yl)carbonyl]morpholine
CID 72930011
1-Cyclopentanecarbonyl-4-[(5-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 110196460
(6S)-2-cyclopentyl-8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96393573
(6R)-2-(cyclopropylmethyl)-8-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96405202
(3S)-1-cycloheptyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97132151
1-Cyclohexyl-N-[(5-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine-3-carboxamide
CID 50977796

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 72841531) is [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1nc(C2CCN(C(=O)[C@H]3CNC[C@H](C(=O)N4CCCC4)C3)CC2)n[nH]1.
What is the InChIKey of [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FHFPFGNLBXDPFZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-13-21-17(23-22-13)14-4-8-25(9-5-14)19(27)16-10-15(11-20-12-16)18(26)24-6-2-3-7-24/h14-16,20H,2-12H2,1H3,(H,21,22,23)/t15-,16-/m1/s1.
What are the key properties of [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 374.49 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72841531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).