1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea

C19H35N3O2 — CID 97227726

IUPAC1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea
SMILESC[C@H](NC(=O)NC1CCC(N2CCCCC2)CC1)C1CCOCC1
InChIInChI=1S/C19H35N3O2/c1-15(16-9-13-24-14-10-16)20-19(23)21-17-5-7-18(8-6-17)22-11-3-2-4-12-22/h15-18H,2-14H2,1H3,(H2,20,21,23)/t15-,17?,18?/m0/s1
InChIKeyLBNYKDFNFITNKA-ZLPCBKJTSA-N
MW337.51 g/mol
LogP2.90
Rot. Bonds4

About 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea

1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea (PubChem CID 97227726) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea
PubChem CID97227726
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea
SMILESC[C@H](NC(=O)NC1CCC(N2CCCCC2)CC1)C1CCOCC1
InChIInChI=1S/C19H35N3O2/c1-15(16-9-13-24-14-10-16)20-19(23)21-17-5-7-18(8-6-17)22-11-3-2-4-12-22/h15-18H,2-14H2,1H3,(H2,20,21,23)/t15-,17?,18?/m0/s1
InChIKeyLBNYKDFNFITNKA-ZLPCBKJTSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97235034
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
N-cyclohexyl-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]piperidine-1-carboxamide
CID 97070572
N-[1-(oxan-4-yl)ethyl]morpholine-4-carboxamide
CID 103768181
1-cyclohexyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347766
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
1-[1-(oxan-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114115277
4-piperidin-1-yl-N-propan-2-ylcyclohexan-1-amine
CID 115906137

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea?
The IUPAC name of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea (CID 97227726) is 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea.
What is the SMILES notation for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea?
The canonical SMILES for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea is C[C@H](NC(=O)NC1CCC(N2CCCCC2)CC1)C1CCOCC1.
What is the InChIKey of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea?
The InChIKey is LBNYKDFNFITNKA-ZLPCBKJTSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15(16-9-13-24-14-10-16)20-19(23)21-17-5-7-18(8-6-17)22-11-3-2-4-12-22/h15-18H,2-14H2,1H3,(H2,20,21,23)/t15-,17?,18?/m0/s1.
What are the key properties of 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea?
1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea has a molecular weight of 337.51 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(oxan-4-yl)ethyl]-3-(4-piperidin-1-ylcyclohexyl)urea is sourced from PubChem (CID 97227726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).