N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide

C21H35N5O — CID 45202562

IUPACN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)CN1CCCCC1
InChIInChI=1S/C21H35N5O/c1-16(23-20(27)15-26-12-8-5-9-13-26)19-14-22-21(24-17(19)2)25(3)18-10-6-4-7-11-18/h14,16,18H,4-13,15H2,1-3H3,(H,23,27)
InChIKeyXAPGNRICEIBWGD-UHFFFAOYSA-N
MW373.55 g/mol
LogP3.22
Rot. Bonds6

About N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide

N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide (PubChem CID 45202562) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide
PubChem CID45202562
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC NameN-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)CN1CCCCC1
InChIInChI=1S/C21H35N5O/c1-16(23-20(27)15-26-12-8-5-9-13-26)19-14-22-21(24-17(19)2)25(3)18-10-6-4-7-11-18/h14,16,18H,4-13,15H2,1-3H3,(H,23,27)
InChIKeyXAPGNRICEIBWGD-UHFFFAOYSA-N
XLogP3.22
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]acetamide;hydrochloride
CID 154897378
N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 97121764
N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-methoxyacetamide
CID 45230686
N-[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-methylpiperidine-4-carboxamide
CID 42191927
N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 97152140
ethyl 2-[[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]carbamoylamino]acetate
CID 97143088
N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 72918032
N-[(1S)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 97121182
1-[3-[[[(1R)-1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]amino]methyl]phenyl]ethanone
CID 29068223
N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine
CID 45190775
N-cyclohexyl-5-[(1S)-1-[(2-ethylpyrimidin-5-yl)methylamino]ethyl]-N,4-dimethylpyrimidin-2-amine
CID 26391654
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-N-propan-2-ylacetamide
CID 163350707

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide (CID 45202562) is N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide is Cc1nc(N(C)C2CCCCC2)ncc1C(C)NC(=O)CN1CCCCC1.
What is the InChIKey of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide?
The InChIKey is XAPGNRICEIBWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-16(23-20(27)15-26-12-8-5-9-13-26)19-14-22-21(24-17(19)2)25(3)18-10-6-4-7-11-18/h14,16,18H,4-13,15H2,1-3H3,(H,23,27).
What are the key properties of N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide?
N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide has a molecular weight of 373.55 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 45202562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).