N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide

C13H23N3O2 — CID 96554554

IUPACN-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
SMILESCC(=O)N(C[C@H]1CCCN(C(=O)CN)C1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-10(17)16(12-4-5-12)9-11-3-2-6-15(8-11)13(18)7-14/h11-12H,2-9,14H2,1H3/t11-/m0/s1
InChIKeyYYUCNDPUINLPKL-NSHDSACASA-N
MW253.35 g/mol
LogP0.19
Rot. Bonds4

About N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide

N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide (PubChem CID 96554554) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
PubChem CID96554554
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
SMILESCC(=O)N(C[C@H]1CCCN(C(=O)CN)C1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-10(17)16(12-4-5-12)9-11-3-2-6-15(8-11)13(18)7-14/h11-12H,2-9,14H2,1H3/t11-/m0/s1
InChIKeyYYUCNDPUINLPKL-NSHDSACASA-N
XLogP0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566243
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554531
N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554458
2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554851
tert-butyl N-[[(3S)-1-(2-aminoacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553670
benzyl N-[[(3R)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553991
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566198
N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
CID 66567560
N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
CID 66567524
2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
N-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]methyl]-N-cyclopropylacetamide
CID 66567716

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide?
The IUPAC name of N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide (CID 96554554) is N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide?
The canonical SMILES for N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide is CC(=O)N(C[C@H]1CCCN(C(=O)CN)C1)C1CC1.
What is the InChIKey of N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide?
The InChIKey is YYUCNDPUINLPKL-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(17)16(12-4-5-12)9-11-3-2-6-15(8-11)13(18)7-14/h11-12H,2-9,14H2,1H3/t11-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide?
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide has a molecular weight of 253.35 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide is sourced from PubChem (CID 96554554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).