N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide

C26H35N5O — CID 25264261

IUPACN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)C1
InChIInChI=1S/C26H35N5O/c1-21-6-5-14-31(21)25-13-15-30(20-25)24-11-9-22(10-12-24)27-26(32)29-18-16-28(17-19-29)23-7-3-2-4-8-23/h2-4,7-12,21,25H,5-6,13-20H2,1H3,(H,27,32)
InChIKeyOSBYOAIKJPMFDA-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.10
Rot. Bonds4

About N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide

N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 25264261) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide
PubChem CID25264261
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC NameN-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)C1
InChIInChI=1S/C26H35N5O/c1-21-6-5-14-31(21)25-13-15-30(20-25)24-11-9-22(10-12-24)27-26(32)29-18-16-28(17-19-29)23-7-3-2-4-8-23/h2-4,7-12,21,25H,5-6,13-20H2,1H3,(H,27,32)
InChIKeyOSBYOAIKJPMFDA-UHFFFAOYSA-N
XLogP4.10
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide (CID 25264261) is N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide is CC1CCCN1C1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)C1.
What is the InChIKey of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is OSBYOAIKJPMFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/c1-21-6-5-14-31(21)25-13-15-30(20-25)24-11-9-22(10-12-24)27-26(32)29-18-16-28(17-19-29)23-7-3-2-4-8-23/h2-4,7-12,21,25H,5-6,13-20H2,1H3,(H,27,32).
What are the key properties of N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide?
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 25264261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).