methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate

C16H25N3O2 — CID 60944093

IUPACmethyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)19-9-7-13(8-10-19)17-14-5-4-6-15(11-14)18-16(20)21-3/h4-6,11-13,17H,7-10H2,1-3H3,(H,18,20)
InChIKeyXOTOJAYOYXAJMI-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.15
Rot. Bonds4

About methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate

methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate (PubChem CID 60944093) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
PubChem CID60944093
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Namemethyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCN(C(C)C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-12(2)19-9-7-13(8-10-19)17-14-5-4-6-15(11-14)18-16(20)21-3/h4-6,11-13,17H,7-10H2,1-3H3,(H,18,20)
InChIKeyXOTOJAYOYXAJMI-UHFFFAOYSA-N
XLogP3.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
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N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
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methyl N-[3-[(3-methylcyclohexyl)amino]phenyl]carbamate
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methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
CID 79459255
N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
CID 65074545
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
methyl N-[3-(dicyclopropylmethylamino)phenyl]carbamate
CID 54864283
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072849

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate (CID 60944093) is methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate is COC(=O)Nc1cccc(NC2CCN(C(C)C)CC2)c1.
What is the InChIKey of methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate?
The InChIKey is XOTOJAYOYXAJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)19-9-7-13(8-10-19)17-14-5-4-6-15(11-14)18-16(20)21-3/h4-6,11-13,17H,7-10H2,1-3H3,(H,18,20).
What are the key properties of methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate?
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate has a molecular weight of 291.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate is sourced from PubChem (CID 60944093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).