N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide

C25H33N5O2 — CID 91321572

IUPACN-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(NC(=O)Nc3ccc(N4CCCCC4)cc3)cc2)C1
InChIInChI=1S/C25H33N5O2/c1-2-24(31)26-21-14-17-30(18-21)23-12-8-20(9-13-23)28-25(32)27-19-6-10-22(11-7-19)29-15-4-3-5-16-29/h6-13,21H,2-5,14-18H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeyNFDUJPUDXNBBQA-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.43
Rot. Bonds6

About N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide

N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide (PubChem CID 91321572) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
PubChem CID91321572
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(NC(=O)Nc3ccc(N4CCCCC4)cc3)cc2)C1
InChIInChI=1S/C25H33N5O2/c1-2-24(31)26-21-14-17-30(18-21)23-12-8-20(9-13-23)28-25(32)27-19-6-10-22(11-7-19)29-15-4-3-5-16-29/h6-13,21H,2-5,14-18H2,1H3,(H,26,31)(H2,27,28,32)
InChIKeyNFDUJPUDXNBBQA-UHFFFAOYSA-N
XLogP4.43
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-[(9-ethylcarbazol-3-yl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide
CID 91064580
3-bromo-N-[4-[4-(propanoylamino)piperidin-1-yl]phenyl]propanamide
CID 19086860
N-[1-(4-nitrophenyl)pyrrolidin-3-yl]propanamide
CID 91082159
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
N-ethyl-2-[(4-piperidin-1-ylphenyl)carbamoylamino]acetamide
CID 86986680
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
1-(4-cyclopentyloxyphenyl)-3-[4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]urea
CID 67147888
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide (CID 91321572) is N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide is CCC(=O)NC1CCN(c2ccc(NC(=O)Nc3ccc(N4CCCCC4)cc3)cc2)C1.
What is the InChIKey of N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide?
The InChIKey is NFDUJPUDXNBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-2-24(31)26-21-14-17-30(18-21)23-12-8-20(9-13-23)28-25(32)27-19-6-10-22(11-7-19)29-15-4-3-5-16-29/h6-13,21H,2-5,14-18H2,1H3,(H,26,31)(H2,27,28,32).
What are the key properties of N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide?
N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide has a molecular weight of 435.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 91321572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).