N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide

C20H34N6O — CID 126778638

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCC(NC(C)C)CC3)CC2)nc(C)n1
InChIInChI=1S/C20H34N6O/c1-14(2)21-17-7-11-26(12-8-17)20(27)24-18-5-9-25(10-6-18)19-13-15(3)22-16(4)23-19/h13-14,17-18,21H,5-12H2,1-4H3,(H,24,27)
InChIKeyPTAZHBOKDVOOOT-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.23
Rot. Bonds4

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide (PubChem CID 126778638) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
PubChem CID126778638
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
SMILESCc1cc(N2CCC(NC(=O)N3CCC(NC(C)C)CC3)CC2)nc(C)n1
InChIInChI=1S/C20H34N6O/c1-14(2)21-17-7-11-26(12-8-17)20(27)24-18-5-9-25(10-6-18)19-13-15(3)22-16(4)23-19/h13-14,17-18,21H,5-12H2,1-4H3,(H,24,27)
InChIKeyPTAZHBOKDVOOOT-UHFFFAOYSA-N
XLogP2.23
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3,3-difluoropyrrolidine-1-carboxamide
CID 146126199
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 126791611
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 119897645
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide
CID 120638469
2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119897662
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 126779994
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
N-cyclohexyl-4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 108782198

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide (CID 126778638) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide is Cc1cc(N2CCC(NC(=O)N3CCC(NC(C)C)CC3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide?
The InChIKey is PTAZHBOKDVOOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O/c1-14(2)21-17-7-11-26(12-8-17)20(27)24-18-5-9-25(10-6-18)19-13-15(3)22-16(4)23-19/h13-14,17-18,21H,5-12H2,1-4H3,(H,24,27).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide is sourced from PubChem (CID 126778638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).