N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide

C24H37N5O2 — CID 86906203

IUPACN-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide
SMILESCC(C)n1cnnc1C1CCCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C24H37N5O2/c1-16(2)29-15-26-27-22(29)20-4-3-7-28(14-20)21(30)5-6-25-23(31)24-11-17-8-18(12-24)10-19(9-17)13-24/h15-20H,3-14H2,1-2H3,(H,25,31)
InChIKeyAECDUPPIGCINQN-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.29
Rot. Bonds6

About N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide

N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide (PubChem CID 86906203) has the molecular formula C24H37N5O2 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide
PubChem CID86906203
Molecular FormulaC24H37N5O2
Molecular Weight427.59 g/mol
Exact Mass427.29
IUPAC NameN-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide
SMILESCC(C)n1cnnc1C1CCCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C24H37N5O2/c1-16(2)29-15-26-27-22(29)20-4-3-7-28(14-20)21(30)5-6-25-23(31)24-11-17-8-18(12-24)10-19(9-17)13-24/h15-20H,3-14H2,1-2H3,(H,25,31)
InChIKeyAECDUPPIGCINQN-UHFFFAOYSA-N
XLogP3.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(1-adamantyl)-1-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 97142870
1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192805
(2S,3S)-2-amino-3-methyl-1-[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684102
(2R,3S)-2-amino-3-methyl-1-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 124684418
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
[(3S)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 124682152
4-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 79203756
5-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 79199865
N-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]adamantane-1-carboxamide
CID 37033363
N-[3-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]adamantane-1-carboxamide
CID 86905528
5-chloro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 54876034
N-methyl-4-[(E)-3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]prop-1-enyl]benzenesulfonamide
CID 86906378

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide (CID 86906203) is N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide is CC(C)n1cnnc1C1CCCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide?
The InChIKey is AECDUPPIGCINQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2/c1-16(2)29-15-26-27-22(29)20-4-3-7-28(14-20)21(30)5-6-25-23(31)24-11-17-8-18(12-24)10-19(9-17)13-24/h15-20H,3-14H2,1-2H3,(H,25,31).
What are the key properties of N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide?
N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide is sourced from PubChem (CID 86906203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).