(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride

C12H23ClN4O2 — CID 119490463

IUPAC(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride
SMILESCNC1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-14-9-4-2-6-15(8-9)11(17)10-5-3-7-16(10)12(13)18;/h9-10,14H,2-8H2,1H3,(H2,13,18);1H/t9?,10-;/m0./s1
InChIKeyJWSCCSPXJLSYDJ-FTCYEJDNSA-N
MW290.80 g/mol
LogP0.16
Rot. Bonds2

About (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride

(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride (PubChem CID 119490463) has the molecular formula C12H23ClN4O2 and a molecular weight of 290.80 g/mol. Its IUPAC name is (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride
PubChem CID119490463
Molecular FormulaC12H23ClN4O2
Molecular Weight290.80 g/mol
Exact Mass290.15
IUPAC Name(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride
SMILESCNC1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-14-9-4-2-6-15(8-9)11(17)10-5-3-7-16(10)12(13)18;/h9-10,14H,2-8H2,1H3,(H2,13,18);1H/t9?,10-;/m0./s1
InChIKeyJWSCCSPXJLSYDJ-FTCYEJDNSA-N
XLogP0.16
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119487872
[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487679
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
[1-(2,4-dimethoxybenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491871
(2-cyclopropylcyclopropyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493995
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
(1-butylsulfonylpyrrolidin-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488511
2,2-dimethyl-1-[4-[3-(methylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
CID 119490715

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride?
The IUPAC name of (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride (CID 119490463) is (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride?
The canonical SMILES for (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride is CNC1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1.Cl.
What is the InChIKey of (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride?
The InChIKey is JWSCCSPXJLSYDJ-FTCYEJDNSA-N. The full InChI is InChI=1S/C12H22N4O2.ClH/c1-14-9-4-2-6-15(8-9)11(17)10-5-3-7-16(10)12(13)18;/h9-10,14H,2-8H2,1H3,(H2,13,18);1H/t9?,10-;/m0./s1.
What are the key properties of (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride?
(2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119490463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).