(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide

C19H28N4O2 — CID 119885587

IUPAC(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C19H28N4O2/c24-18(21-11-14-23-12-3-4-13-23)15-6-8-16(9-7-15)22-19(25)17-5-1-2-10-20-17/h6-9,17,20H,1-5,10-14H2,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyRGHSRNYQADADCO-QGZVFWFLSA-N
MW344.46 g/mol
LogP1.59
Rot. Bonds6

About (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide

(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide (PubChem CID 119885587) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
PubChem CID119885587
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CCCCN2)cc1
InChIInChI=1S/C19H28N4O2/c24-18(21-11-14-23-12-3-4-13-23)15-6-8-16(9-7-15)22-19(25)17-5-1-2-10-20-17/h6-9,17,20H,1-5,10-14H2,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyRGHSRNYQADADCO-QGZVFWFLSA-N
XLogP1.59
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
(2S)-N-[4-(cyclopropylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 103808292
(2S)-N-[4-(prop-2-enylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740948
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 119827871
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286603
N-[4-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60927170
(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233974
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885631

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide (CID 119885587) is (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide is O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CCCCN2)cc1.
What is the InChIKey of (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide?
The InChIKey is RGHSRNYQADADCO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(21-11-14-23-12-3-4-13-23)15-6-8-16(9-7-15)22-19(25)17-5-1-2-10-20-17/h6-9,17,20H,1-5,10-14H2,(H,21,24)(H,22,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide?
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119885587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).