1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea

C18H27N3O2 — CID 95303034

IUPAC1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
SMILESCCNC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-16(14-8-6-5-7-9-14)17(22)21-12-10-15(11-13-21)20-18(23)19-4-2/h5-9,15-16H,3-4,10-13H2,1-2H3,(H2,19,20,23)/t16-/m1/s1
InChIKeyTVVGMZHSKOKEKX-MRXNPFEDSA-N
MW317.43 g/mol
LogP2.49
Rot. Bonds5

About 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea

1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea (PubChem CID 95303034) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
PubChem CID95303034
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
SMILESCCNC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-16(14-8-6-5-7-9-14)17(22)21-12-10-15(11-13-21)20-18(23)19-4-2/h5-9,15-16H,3-4,10-13H2,1-2H3,(H2,19,20,23)/t16-/m1/s1
InChIKeyTVVGMZHSKOKEKX-MRXNPFEDSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
(1S,6R)-N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 95906118
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
N-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 119311950
N-[1-(2-phenylbutanoyl)piperidin-4-yl]furan-2-carboxamide
CID 51102722
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
2-amino-2-(oxan-4-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 120791093
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100
N-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124628014
2-(2-methylpropylsulfonyl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 60611058
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119763637
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea?
The IUPAC name of 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea (CID 95303034) is 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea?
The canonical SMILES for 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea is CCNC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1.
What is the InChIKey of 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea?
The InChIKey is TVVGMZHSKOKEKX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-16(14-8-6-5-7-9-14)17(22)21-12-10-15(11-13-21)20-18(23)19-4-2/h5-9,15-16H,3-4,10-13H2,1-2H3,(H2,19,20,23)/t16-/m1/s1.
What are the key properties of 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea?
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea has a molecular weight of 317.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea is sourced from PubChem (CID 95303034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).