1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

C24H31N5O2 — CID 36513862

IUPAC1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C24H31N5O2/c30-23(29-14-2-1-3-15-29)21-9-6-19(7-10-21)16-26-24(31)27-18-20-8-11-22(25-17-20)28-12-4-5-13-28/h6-11,17H,1-5,12-16,18H2,(H2,26,27,31)
InChIKeyZARXWNWLSXIPQW-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.31
Rot. Bonds6

About 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 36513862) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID36513862
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C24H31N5O2/c30-23(29-14-2-1-3-15-29)21-9-6-19(7-10-21)16-26-24(31)27-18-20-8-11-22(25-17-20)28-12-4-5-13-28/h6-11,17H,1-5,12-16,18H2,(H2,26,27,31)
InChIKeyZARXWNWLSXIPQW-UHFFFAOYSA-N
XLogP3.31
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-prop-2-enyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36507156
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36521056
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[(2S)-2-cyclopropyl-2-hydroxyethyl]urea
CID 97310846
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
1-hydroxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 110907185
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51081435
1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94172517

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 36513862) is 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is ZARXWNWLSXIPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c30-23(29-14-2-1-3-15-29)21-9-6-19(7-10-21)16-26-24(31)27-18-20-8-11-22(25-17-20)28-12-4-5-13-28/h6-11,17H,1-5,12-16,18H2,(H2,26,27,31).
What are the key properties of 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 421.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 36513862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).