1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride

C12H23ClN4O2 — CID 119933651

IUPAC1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCN(C(=O)CN2CC[C@H](N)C2)C1
InChIInChI=1S/C12H22N4O2.ClH/c13-10-3-5-15(7-10)8-11(17)16-4-1-2-9(6-16)12(14)18;/h9-10H,1-8,13H2,(H2,14,18);1H/t9?,10-;/m0./s1
InChIKeyIJUNINBAYWABJT-FTCYEJDNSA-N
MW290.80 g/mol
LogP-0.83
Rot. Bonds3

About 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride

1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119933651) has the molecular formula C12H23ClN4O2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119933651
Molecular FormulaC12H23ClN4O2
Molecular Weight290.80 g/mol
Exact Mass290.15
IUPAC Name1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCCN(C(=O)CN2CC[C@H](N)C2)C1
InChIInChI=1S/C12H22N4O2.ClH/c13-10-3-5-15(7-10)8-11(17)16-4-1-2-9(6-16)12(14)18;/h9-10H,1-8,13H2,(H2,14,18);1H/t9?,10-;/m0./s1
InChIKeyIJUNINBAYWABJT-FTCYEJDNSA-N
XLogP-0.83
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119905154
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125475
2-(4-aminopiperidin-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107222871
1-[2-(2-methylmorpholin-4-yl)acetyl]piperidine-3-carboxamide
CID 134055223
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 39981031
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 16785427
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride (CID 119933651) is 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride is Cl.NC(=O)C1CCCN(C(=O)CN2CC[C@H](N)C2)C1.
What is the InChIKey of 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is IJUNINBAYWABJT-FTCYEJDNSA-N. The full InChI is InChI=1S/C12H22N4O2.ClH/c13-10-3-5-15(7-10)8-11(17)16-4-1-2-9(6-16)12(14)18;/h9-10H,1-8,13H2,(H2,14,18);1H/t9?,10-;/m0./s1.
What are the key properties of 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride?
1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119933651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).