1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide

C24H38N6O2 — CID 92638010

IUPAC1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESCc1nc(CC2CCN(CC(=O)N3CCC(C(N)=O)CC3)CC2)cc(NC2CCCC2)n1
InChIInChI=1S/C24H38N6O2/c1-17-26-21(15-22(27-17)28-20-4-2-3-5-20)14-18-6-10-29(11-7-18)16-23(31)30-12-8-19(9-13-30)24(25)32/h15,18-20H,2-14,16H2,1H3,(H2,25,32)(H,26,27,28)
InChIKeyIANGUYCYPPLULY-UHFFFAOYSA-N
MW442.61 g/mol
LogP2.12
Rot. Bonds7

About 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 92638010) has the molecular formula C24H38N6O2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID92638010
Molecular FormulaC24H38N6O2
Molecular Weight442.61 g/mol
Exact Mass442.31
IUPAC Name1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESCc1nc(CC2CCN(CC(=O)N3CCC(C(N)=O)CC3)CC2)cc(NC2CCCC2)n1
InChIInChI=1S/C24H38N6O2/c1-17-26-21(15-22(27-17)28-20-4-2-3-5-20)14-18-6-10-29(11-7-18)16-23(31)30-12-8-19(9-13-30)24(25)32/h15,18-20H,2-14,16H2,1H3,(H2,25,32)(H,26,27,28)
InChIKeyIANGUYCYPPLULY-UHFFFAOYSA-N
XLogP2.12
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 92637873
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 66325264
1-[4-[[2-methyl-6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92638098
6-ethyl-2-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]pyrimidin-4-amine
CID 133460514
1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 92550581
1-(azepan-1-yl)-2-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 146079543
1-[4-[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871211
1-[2-oxo-2-[(2S)-2-[1-(2-phenoxyacetyl)piperidin-4-yl]piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 124991852
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109363064
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 16909259

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide (CID 92638010) is 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide is Cc1nc(CC2CCN(CC(=O)N3CCC(C(N)=O)CC3)CC2)cc(NC2CCCC2)n1.
What is the InChIKey of 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is IANGUYCYPPLULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O2/c1-17-26-21(15-22(27-17)28-20-4-2-3-5-20)14-18-6-10-29(11-7-18)16-23(31)30-12-8-19(9-13-30)24(25)32/h15,18-20H,2-14,16H2,1H3,(H2,25,32)(H,26,27,28).
What are the key properties of 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 442.61 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 92638010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).