1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

C14H25N3O2 — CID 39981031

IUPAC1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@H]1CCCN(C(=O)CN2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C14H25N3O2/c1-11-3-2-6-17(9-11)13(18)10-16-7-4-12(5-8-16)14(15)19/h11-12H,2-10H2,1H3,(H2,15,19)/t11-/m0/s1
InChIKeyIVTTVSUVBAMREX-NSHDSACASA-N
MW267.37 g/mol
LogP0.44
Rot. Bonds3

About 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 39981031) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID39981031
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@H]1CCCN(C(=O)CN2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C14H25N3O2/c1-11-3-2-6-17(9-11)13(18)10-16-7-4-12(5-8-16)14(15)19/h11-12H,2-10H2,1H3,(H2,15,19)/t11-/m0/s1
InChIKeyIVTTVSUVBAMREX-NSHDSACASA-N
XLogP0.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575165
2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
2-[3-(methylamino)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 115300483
1-[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119905154
1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119933651
2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 107407870
1-[2-(2-methylmorpholin-4-yl)acetyl]piperidine-3-carboxamide
CID 134055223
3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324601
3-methylpiperidine-1-carboxamide
CID 16786142
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 111489419

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide (CID 39981031) is 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is C[C@H]1CCCN(C(=O)CN2CCC(C(N)=O)CC2)C1.
What is the InChIKey of 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is IVTTVSUVBAMREX-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-3-2-6-17(9-11)13(18)10-16-7-4-12(5-8-16)14(15)19/h11-12H,2-10H2,1H3,(H2,15,19)/t11-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 39981031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).