1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea

C20H26N4O — CID 95571044

IUPAC1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
SMILESCCN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C20H26N4O/c1-2-24-14-10-18(11-15-24)22-20(25)23-19(16-6-4-3-5-7-16)17-8-12-21-13-9-17/h3-9,12-13,18-19H,2,10-11,14-15H2,1H3,(H2,22,23,25)/t19-/m1/s1
InChIKeyISDLYOSWEDNDIP-LJQANCHMSA-N
MW338.45 g/mol
LogP2.95
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea

1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea (PubChem CID 95571044) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
PubChem CID95571044
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
SMILESCCN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C20H26N4O/c1-2-24-14-10-18(11-15-24)22-20(25)23-19(16-6-4-3-5-7-16)17-8-12-21-13-9-17/h3-9,12-13,18-19H,2,10-11,14-15H2,1H3,(H2,22,23,25)/t19-/m1/s1
InChIKeyISDLYOSWEDNDIP-LJQANCHMSA-N
XLogP2.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
N-benzhydryl-1-ethylpiperidin-4-amine
CID 3821522
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
2-[(1-ethylpiperidin-4-yl)amino]-2-phenylacetic acid
CID 62110488
2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
CID 95159118
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 110922221

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea (CID 95571044) is 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea is CCN1CCC(NC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
The InChIKey is ISDLYOSWEDNDIP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-24-14-10-18(11-15-24)22-20(25)23-19(16-6-4-3-5-7-16)17-8-12-21-13-9-17/h3-9,12-13,18-19H,2,10-11,14-15H2,1H3,(H2,22,23,25)/t19-/m1/s1.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea?
1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea has a molecular weight of 338.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-[(R)-phenyl(pyridin-4-yl)methyl]urea is sourced from PubChem (CID 95571044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).