1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide

C21H28N4O2 — CID 91769477

IUPAC1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CNC(=O)C2CCN(Cc3ccco3)CC2)nc2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-15-18-6-2-3-7-19(18)24-20(23-15)13-22-21(26)16-8-10-25(11-9-16)14-17-5-4-12-27-17/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,22,26)
InChIKeyONROCKMRFCXCPT-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.79
Rot. Bonds5

About 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide

1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 91769477) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID91769477
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CNC(=O)C2CCN(Cc3ccco3)CC2)nc2c1CCCC2
InChIInChI=1S/C21H28N4O2/c1-15-18-6-2-3-7-19(18)24-20(23-15)13-22-21(26)16-8-10-25(11-9-16)14-17-5-4-12-27-17/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,22,26)
InChIKeyONROCKMRFCXCPT-UHFFFAOYSA-N
XLogP2.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
(3R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97282504
1-(furan-2-ylmethyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 72847764
1-(furan-2-ylmethyl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]piperidine-4-carboxamide
CID 97197961
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
1-(furan-2-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 72921894
N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 134702967
N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 134698283
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45006705
(3S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97283477
1-(furan-2-ylmethyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-4-carboxamide
CID 72921377
1-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 25249201

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide (CID 91769477) is 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide is Cc1nc(CNC(=O)C2CCN(Cc3ccco3)CC2)nc2c1CCCC2.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ONROCKMRFCXCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-18-6-2-3-7-19(18)24-20(23-15)13-22-21(26)16-8-10-25(11-9-16)14-17-5-4-12-27-17/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,22,26).
What are the key properties of 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide?
1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 91769477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).