1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide

C20H25N5O2 — CID 97203744

IUPAC1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1cn2cccnc2n1
InChIInChI=1S/C20H25N5O2/c1-2-17(18-14-25-9-4-8-21-20(25)23-18)22-19(26)15-6-10-24(11-7-15)13-16-5-3-12-27-16/h3-5,8-9,12,14-15,17H,2,6-7,10-11,13H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyMBIHUWKUKYBIAZ-QGZVFWFLSA-N
MW367.45 g/mol
LogP2.80
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide

1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide (PubChem CID 97203744) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide
PubChem CID97203744
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1cn2cccnc2n1
InChIInChI=1S/C20H25N5O2/c1-2-17(18-14-25-9-4-8-21-20(25)23-18)22-19(26)15-6-10-24(11-7-15)13-16-5-3-12-27-16/h3-5,8-9,12,14-15,17H,2,6-7,10-11,13H2,1H3,(H,22,26)/t17-/m1/s1
InChIKeyMBIHUWKUKYBIAZ-QGZVFWFLSA-N
XLogP2.80
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-ylmethyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]piperidine-4-carboxamide
CID 97190312
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99973207
2-(2-chlorophenyl)-2-[[1-(furan-2-ylmethyl)piperidine-4-carbonyl]amino]acetic acid
CID 72862619
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155938444
N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 131949045
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
CID 99932489
1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide
CID 98308001
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 134698283
1-(furan-2-ylmethyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 72847764
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72916676
(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 35751451

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide (CID 97203744) is 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide is CC[C@@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1cn2cccnc2n1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide?
The InChIKey is MBIHUWKUKYBIAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-17(18-14-25-9-4-8-21-20(25)23-18)22-19(26)15-6-10-24(11-7-15)13-16-5-3-12-27-16/h3-5,8-9,12,14-15,17H,2,6-7,10-11,13H2,1H3,(H,22,26)/t17-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide?
1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 97203744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).