5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide

C14H22N4O2 — CID 124569599

IUPAC5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide
SMILESC[C@H](N)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cn1C
InChIInChI=1S/C14H22N4O2/c1-9(15)11-5-3-4-6-18(11)14(20)12-7-10(13(16)19)8-17(12)2/h7-9,11H,3-6,15H2,1-2H3,(H2,16,19)/t9-,11-/m0/s1
InChIKeyRGVQFWUDCFEBDF-ONGXEEELSA-N
MW278.36 g/mol
LogP0.47
Rot. Bonds3

About 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide

5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide (PubChem CID 124569599) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide
PubChem CID124569599
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide
SMILESC[C@H](N)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cn1C
InChIInChI=1S/C14H22N4O2/c1-9(15)11-5-3-4-6-18(11)14(20)12-7-10(13(16)19)8-17(12)2/h7-9,11H,3-6,15H2,1-2H3,(H2,16,19)/t9-,11-/m0/s1
InChIKeyRGVQFWUDCFEBDF-ONGXEEELSA-N
XLogP0.47
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671402
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
[2-(1-aminoethyl)piperidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 119435592
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 119435295
(2R)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034397
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 124685615
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 103805470
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119436037
5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide
CID 120569414
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-bromo-5-methylthiophen-3-yl)methanone
CID 125134854

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide (CID 124569599) is 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide is C[C@H](N)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cn1C.
What is the InChIKey of 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is RGVQFWUDCFEBDF-ONGXEEELSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(15)11-5-3-4-6-18(11)14(20)12-7-10(13(16)19)8-17(12)2/h7-9,11H,3-6,15H2,1-2H3,(H2,16,19)/t9-,11-/m0/s1.
What are the key properties of 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide?
5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 124569599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).