1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide

C19H28N4O2 — CID 131935611

IUPAC1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)Nc2cccc(CN3CCCC3)c2)C1
InChIInChI=1S/C19H28N4O2/c20-18(24)14-23-10-4-6-16(13-23)19(25)21-17-7-3-5-15(11-17)12-22-8-1-2-9-22/h3,5,7,11,16H,1-2,4,6,8-10,12-14H2,(H2,20,24)(H,21,25)
InChIKeyDHVBIRJNFCAFMV-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.42
Rot. Bonds6

About 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide (PubChem CID 131935611) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
PubChem CID131935611
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCCC(C(=O)Nc2cccc(CN3CCCC3)c2)C1
InChIInChI=1S/C19H28N4O2/c20-18(24)14-23-10-4-6-16(13-23)19(25)21-17-7-3-5-15(11-17)12-22-8-1-2-9-22/h3,5,7,11,16H,1-2,4,6,8-10,12-14H2,(H2,20,24)(H,21,25)
InChIKeyDHVBIRJNFCAFMV-UHFFFAOYSA-N
XLogP1.42
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-amino-2-oxoethyl)-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]piperidine-3-carboxamide
CID 92614404
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide (CID 131935611) is 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide is NC(=O)CN1CCCC(C(=O)Nc2cccc(CN3CCCC3)c2)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is DHVBIRJNFCAFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-18(24)14-23-10-4-6-16(13-23)19(25)21-17-7-3-5-15(11-17)12-22-8-1-2-9-22/h3,5,7,11,16H,1-2,4,6,8-10,12-14H2,(H2,20,24)(H,21,25).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 131935611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).