1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea

C19H31N3O2 — CID 110900882

IUPAC1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESCC(C)(C)N1CCC(NC(=O)NC(CO)Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)22-11-9-16(10-12-22)20-18(24)21-17(14-23)13-15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3,(H2,20,21,24)
InChIKeyNHXDNCYQVLWRNJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.15
Rot. Bonds5

About 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea

1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 110900882) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID110900882
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESCC(C)(C)N1CCC(NC(=O)NC(CO)Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,3)22-11-9-16(10-12-22)20-18(24)21-17(14-23)13-15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3,(H2,20,21,24)
InChIKeyNHXDNCYQVLWRNJ-UHFFFAOYSA-N
XLogP2.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111508924
1-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99698318
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-(1-benzylpiperidin-4-yl)-3-(1-phenyl-3-sulfanylpropan-2-yl)urea
CID 22905498
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129435365
ethyl 4-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 60547220
N-(1-tert-butylpiperidin-4-yl)benzamide
CID 61036493
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 95968425
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 129012229
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea (CID 110900882) is 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea is CC(C)(C)N1CCC(NC(=O)NC(CO)Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is NHXDNCYQVLWRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,3)22-11-9-16(10-12-22)20-18(24)21-17(14-23)13-15-7-5-4-6-8-15/h4-8,16-17,23H,9-14H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea has a molecular weight of 333.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 110900882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).