(2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide

C19H37N3O — CID 124781667

IUPAC(2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide
SMILESCC1CCC(NC(=O)[C@@H](C)N(C)CC[C@H]2CCCCN2C)CC1
InChIInChI=1S/C19H37N3O/c1-15-8-10-17(11-9-15)20-19(23)16(2)21(3)14-12-18-7-5-6-13-22(18)4/h15-18H,5-14H2,1-4H3,(H,20,23)/t15?,16-,17?,18-/m1/s1
InChIKeyKQQOOWWYOKGORK-GPQLOAJWSA-N
MW323.52 g/mol
LogP2.88
Rot. Bonds6

About (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide

(2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide (PubChem CID 124781667) has the molecular formula C19H37N3O and a molecular weight of 323.52 g/mol. Its IUPAC name is (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide
PubChem CID124781667
Molecular FormulaC19H37N3O
Molecular Weight323.52 g/mol
Exact Mass323.29
IUPAC Name(2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide
SMILESCC1CCC(NC(=O)[C@@H](C)N(C)CC[C@H]2CCCCN2C)CC1
InChIInChI=1S/C19H37N3O/c1-15-8-10-17(11-9-15)20-19(23)16(2)21(3)14-12-18-7-5-6-13-22(18)4/h15-18H,5-14H2,1-4H3,(H,20,23)/t15?,16-,17?,18-/m1/s1
InChIKeyKQQOOWWYOKGORK-GPQLOAJWSA-N
XLogP2.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide with MolForge

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Related Compounds

N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide
CID 114015127
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
CID 119894084
N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496931
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965
N-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]propanamide
CID 106025328
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide
CID 78823735
2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 60834292
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
CID 43116824
2-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-methylamino]ethyl]benzoic acid
CID 104548746
4-N-methyl-4-N-[2-(1-methylpiperidin-2-yl)ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 107910875
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]urea
CID 111507577

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide?
The IUPAC name of (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide (CID 124781667) is (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide is CC1CCC(NC(=O)[C@@H](C)N(C)CC[C@H]2CCCCN2C)CC1.
What is the InChIKey of (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide?
The InChIKey is KQQOOWWYOKGORK-GPQLOAJWSA-N. The full InChI is InChI=1S/C19H37N3O/c1-15-8-10-17(11-9-15)20-19(23)16(2)21(3)14-12-18-7-5-6-13-22(18)4/h15-18H,5-14H2,1-4H3,(H,20,23)/t15?,16-,17?,18-/m1/s1.
What are the key properties of (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide?
(2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide has a molecular weight of 323.52 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide is sourced from PubChem (CID 124781667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).