N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

C23H43N3O2 — CID 7355044

IUPACN-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N[C@@H](C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)C(C)C)CC1
InChIInChI=1S/C23H43N3O2/c1-16(2)21(25-22(27)20-9-7-17(3)8-10-20)23(28)24-11-6-12-26-14-18(4)13-19(5)15-26/h16-21H,6-15H2,1-5H3,(H,24,28)(H,25,27)/t17?,18-,19-,20?,21+/m0/s1
InChIKeyPYQYWVVSOIKLHN-QQVZOVBDSA-N
MW393.62 g/mol
LogP3.44
Rot. Bonds8

About N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 7355044) has the molecular formula C23H43N3O2 and a molecular weight of 393.62 g/mol. Its IUPAC name is N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID7355044
Molecular FormulaC23H43N3O2
Molecular Weight393.62 g/mol
Exact Mass393.34
IUPAC NameN-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)N[C@@H](C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)C(C)C)CC1
InChIInChI=1S/C23H43N3O2/c1-16(2)21(25-22(27)20-9-7-17(3)8-10-20)23(28)24-11-6-12-26-14-18(4)13-19(5)15-26/h16-21H,6-15H2,1-5H3,(H,24,28)(H,25,27)/t17?,18-,19-,20?,21+/m0/s1
InChIKeyPYQYWVVSOIKLHN-QQVZOVBDSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 41168378
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852750
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 15987928
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
N-[1-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 22422539
4-methyl-N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]cyclohexane-1-carboxamide
CID 7064719
1-butanoyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980497
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 55940674
4-chloro-N-[3-methyl-1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 46523639
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894449

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 7355044) is N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)N[C@@H](C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)C(C)C)CC1.
What is the InChIKey of N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is PYQYWVVSOIKLHN-QQVZOVBDSA-N. The full InChI is InChI=1S/C23H43N3O2/c1-16(2)21(25-22(27)20-9-7-17(3)8-10-20)23(28)24-11-6-12-26-14-18(4)13-19(5)15-26/h16-21H,6-15H2,1-5H3,(H,24,28)(H,25,27)/t17?,18-,19-,20?,21+/m0/s1.
What are the key properties of N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 393.62 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 7355044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).