4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide

C21H23N3O3 — CID 95196037

IUPAC4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C21H23N3O3/c25-17-8-6-16(7-9-17)20(26)23-10-12-24(13-11-23)21(27)22-19-14-18(19)15-4-2-1-3-5-15/h1-9,18-19,25H,10-14H2,(H,22,27)/t18-,19-/m1/s1
InChIKeyWZLSBECRHRJFDS-RTBURBONSA-N
MW365.43 g/mol
LogP2.42
Rot. Bonds3

About 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide

4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide (PubChem CID 95196037) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide
PubChem CID95196037
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C21H23N3O3/c25-17-8-6-16(7-9-17)20(26)23-10-12-24(13-11-23)21(27)22-19-14-18(19)15-4-2-1-3-5-15/h1-9,18-19,25H,10-14H2,(H,22,27)/t18-,19-/m1/s1
InChIKeyWZLSBECRHRJFDS-RTBURBONSA-N
XLogP2.42
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
CID 23790831
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 158693057
(3S)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[4-[(3S,4S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]-4-[[(2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]phenyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 154971108
N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 100728242
(3S,4S)-1-(4-cyanobenzoyl)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 167357027
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
4-benzoyl-N-(3-tricyclo[3.2.1.02,4]octanyl)piperazine-1-carboxamide
CID 136516132
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122019335
N-[4-[4-[(1S,2R)-2-phenylcyclopropanecarbonyl]piperazine-1-carbonyl]phenyl]acetamide
CID 51896804

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide (CID 95196037) is 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide is O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide?
The InChIKey is WZLSBECRHRJFDS-RTBURBONSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-17-8-6-16(7-9-17)20(26)23-10-12-24(13-11-23)21(27)22-19-14-18(19)15-4-2-1-3-5-15/h1-9,18-19,25H,10-14H2,(H,22,27)/t18-,19-/m1/s1.
What are the key properties of 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide?
4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide is sourced from PubChem (CID 95196037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).