N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide

C22H30N2O3 — CID 47022910

IUPACN-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H30N2O3/c25-20(18-1-4-24(5-2-18)21(26)19-3-6-27-13-19)23-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h3,6,13,15-18H,1-2,4-5,7-12,14H2,(H,23,25)
InChIKeyKCBADKPSQRNIRU-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.46
Rot. Bonds4

About N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 47022910) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID47022910
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H30N2O3/c25-20(18-1-4-24(5-2-18)21(26)19-3-6-27-13-19)23-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h3,6,13,15-18H,1-2,4-5,7-12,14H2,(H,23,25)
InChIKeyKCBADKPSQRNIRU-UHFFFAOYSA-N
XLogP3.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 8923714
1-(furan-3-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445987
N-[1-(1-adamantyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51113136
N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27845585
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 32822773
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 35550742
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
CID 134048628
1-(furan-3-carbonyl)-N-[2-(N-methylanilino)ethyl]piperidine-4-carboxamide
CID 35751247

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 47022910) is N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is KCBADKPSQRNIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c25-20(18-1-4-24(5-2-18)21(26)19-3-6-27-13-19)23-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h3,6,13,15-18H,1-2,4-5,7-12,14H2,(H,23,25).
What are the key properties of N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-(1-adamantylmethyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 3.46, 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-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 47022910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).