(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide

C19H28N4O2 — CID 32735224

IUPAC(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
SMILESC[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(19(25)23-9-5-6-16(14-23)18(20)24)21-10-12-22(13-11-21)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H2,20,24)/t15-,16+/m0/s1
InChIKeyOONUVEXOJNOPEP-JKSUJKDBSA-N
MW344.46 g/mol
LogP0.92
Rot. Bonds4

About (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide

(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 32735224) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
PubChem CID32735224
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
SMILESC[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(19(25)23-9-5-6-16(14-23)18(20)24)21-10-12-22(13-11-21)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H2,20,24)/t15-,16+/m0/s1
InChIKeyOONUVEXOJNOPEP-JKSUJKDBSA-N
XLogP0.92
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119380573
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
(3R)-1-[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32715892
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
(3S)-1-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 94461656
(3R)-1-[(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanoyl]piperidine-3-carboxamide
CID 100835643
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56811023
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
ethyl 1-[2-[4-(2-nitrophenyl)piperazin-1-yl]propanoyl]piperidine-3-carboxylate
CID 55525025

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide (CID 32735224) is (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide is C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is OONUVEXOJNOPEP-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(19(25)23-9-5-6-16(14-23)18(20)24)21-10-12-22(13-11-21)17-7-3-2-4-8-17/h2-4,7-8,15-16H,5-6,9-14H2,1H3,(H2,20,24)/t15-,16+/m0/s1.
What are the key properties of (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide?
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 32735224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).