N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H30N2O2S — CID 27845585

IUPACN-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H30N2O2S/c25-20(18-3-5-24(6-4-18)21(26)19-2-1-7-27-19)23-14-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,7,15-18H,3-6,8-14H2,(H,23,25)
InChIKeyKBQPUIWDHLHNKG-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.93
Rot. Bonds4

About N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 27845585) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID27845585
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C22H30N2O2S/c25-20(18-3-5-24(6-4-18)21(26)19-2-1-7-27-19)23-14-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,7,15-18H,3-6,8-14H2,(H,23,25)
InChIKeyKBQPUIWDHLHNKG-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 8927607
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 8923714
N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 47022910
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
2-(1-adamantyl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108545376
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 27845585) is N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is KBQPUIWDHLHNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c25-20(18-3-5-24(6-4-18)21(26)19-2-1-7-27-19)23-14-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,7,15-18H,3-6,8-14H2,(H,23,25).
What are the key properties of N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 386.56 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 27845585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).