1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea

C22H30N4O — CID 143531591

IUPAC1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea
SMILESCC(CCCN1CCCCC1)NC(=O)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C22H30N4O/c1-18(7-6-16-26-14-3-2-4-15-26)24-22(27)25-21-11-9-19(10-12-21)20-8-5-13-23-17-20/h5,8-13,17-18H,2-4,6-7,14-16H2,1H3,(H2,24,25,27)
InChIKeyKDDWNMUMOPWVKI-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.52
Rot. Bonds7

About 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea

1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea (PubChem CID 143531591) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea.

Molecular Properties

Compound Name1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea
PubChem CID143531591
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea
SMILESCC(CCCN1CCCCC1)NC(=O)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C22H30N4O/c1-18(7-6-16-26-14-3-2-4-15-26)24-22(27)25-21-11-9-19(10-12-21)20-8-5-13-23-17-20/h5,8-13,17-18H,2-4,6-7,14-16H2,1H3,(H2,24,25,27)
InChIKeyKDDWNMUMOPWVKI-UHFFFAOYSA-N
XLogP4.52
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-methoxy-3-pyridinyl)phenyl]-3-(5-piperidin-1-ylpentan-2-yl)urea
CID 143531600
N,N-diethyl-1-[4-[(4-pyridin-3-ylphenyl)carbamoylamino]butyl]piperidine-3-carboxamide
CID 59840269
1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-3-(4-pyridin-3-ylphenyl)urea
CID 59840335
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 71981492
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
1-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86796846
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 71165104
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide
CID 118174114

Frequently Asked Questions

What is the IUPAC name of 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea?
The IUPAC name of 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea (CID 143531591) is 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea.
What is the SMILES notation for 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea?
The canonical SMILES for 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea is CC(CCCN1CCCCC1)NC(=O)Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea?
The InChIKey is KDDWNMUMOPWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18(7-6-16-26-14-3-2-4-15-26)24-22(27)25-21-11-9-19(10-12-21)20-8-5-13-23-17-20/h5,8-13,17-18H,2-4,6-7,14-16H2,1H3,(H2,24,25,27).
What are the key properties of 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea?
1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea has a molecular weight of 366.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperidin-1-ylpentan-2-yl)-3-(4-pyridin-3-ylphenyl)urea is sourced from PubChem (CID 143531591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).