N-methyl-N-[(3S)-piperidin-3-yl]propanamide

C9H18N2O — CID 93313714

IUPACN-methyl-N-[(3S)-piperidin-3-yl]propanamide
SMILESCCC(=O)N(C)[C@H]1CCCNC1
InChIInChI=1S/C9H18N2O/c1-3-9(12)11(2)8-5-4-6-10-7-8/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyASMBEYRGALQVBL-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds2

About N-methyl-N-[(3S)-piperidin-3-yl]propanamide

N-methyl-N-[(3S)-piperidin-3-yl]propanamide (PubChem CID 93313714) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-N-[(3S)-piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-piperidin-3-yl]propanamide
PubChem CID93313714
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-N-[(3S)-piperidin-3-yl]propanamide
SMILESCCC(=O)N(C)[C@H]1CCCNC1
InChIInChI=1S/C9H18N2O/c1-3-9(12)11(2)8-5-4-6-10-7-8/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyASMBEYRGALQVBL-QMMMGPOBSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N-methyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63642298
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516
N-methyl-3-methylsulfonyl-N-piperidin-3-ylpropanamide
CID 63642468
N,2-dimethyl-N-piperidin-3-ylpentanamide
CID 60806895
N,3,4,4-tetramethyl-N-piperidin-3-ylpentanamide
CID 63833926
3-methoxy-N,3-dimethyl-N-piperidin-3-ylbutanamide
CID 103019546
N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 178118916
N-methyl-N-piperidin-3-ylprop-2-enamide
CID 63643523
N-methyl-N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206366
N-(4-ethylcyclohexyl)-N-methyl-2-piperidin-3-ylacetamide
CID 62689864
N-cyclopropyl-N-ethyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249128

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-piperidin-3-yl]propanamide?
The IUPAC name of N-methyl-N-[(3S)-piperidin-3-yl]propanamide (CID 93313714) is N-methyl-N-[(3S)-piperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-N-[(3S)-piperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-N-[(3S)-piperidin-3-yl]propanamide is CCC(=O)N(C)[C@H]1CCCNC1.
What is the InChIKey of N-methyl-N-[(3S)-piperidin-3-yl]propanamide?
The InChIKey is ASMBEYRGALQVBL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-9(12)11(2)8-5-4-6-10-7-8/h8,10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-piperidin-3-yl]propanamide?
N-methyl-N-[(3S)-piperidin-3-yl]propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-piperidin-3-yl]propanamide is sourced from PubChem (CID 93313714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).