5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide

C16H25N3O2 — CID 143821382

IUPAC5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide
SMILESCc1cc(O)c(N)cc1C(=O)N(C(C)C)C1CCCNC1
InChIInChI=1S/C16H25N3O2/c1-10(2)19(12-5-4-6-18-9-12)16(21)13-8-14(17)15(20)7-11(13)3/h7-8,10,12,18,20H,4-6,9,17H2,1-3H3
InChIKeyLSWXJFUSHCTGCP-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.89
Rot. Bonds3

About 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide

5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide (PubChem CID 143821382) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide
PubChem CID143821382
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide
SMILESCc1cc(O)c(N)cc1C(=O)N(C(C)C)C1CCCNC1
InChIInChI=1S/C16H25N3O2/c1-10(2)19(12-5-4-6-18-9-12)16(21)13-8-14(17)15(20)7-11(13)3/h7-8,10,12,18,20H,4-6,9,17H2,1-3H3
InChIKeyLSWXJFUSHCTGCP-UHFFFAOYSA-N
XLogP1.89
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-methyl-5-nitro-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143821163
[(3R)-piperidin-3-yl]-propan-2-ylcarbamic acid
CID 66860335
piperidin-3-yl(propan-2-yl)carbamic acid
CID 68784521
4-(4-hydroxybutyl)-2,2,7-trimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide
CID 51354754
4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143814264
2,2,7-trimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-4-[2-(propanoylamino)ethyl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 51354478
3-[4-chloro-2-methoxy-5-[[(3R)-piperidin-3-yl]-propan-2-ylcarbamoyl]phenoxy]propanoic acid;hydrochloride
CID 68661680
N,2,4-trimethyl-N-piperidin-3-ylbenzamide
CID 60807214
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
CID 60800165

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide (CID 143821382) is 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide is Cc1cc(O)c(N)cc1C(=O)N(C(C)C)C1CCCNC1.
What is the InChIKey of 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide?
The InChIKey is LSWXJFUSHCTGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)19(12-5-4-6-18-9-12)16(21)13-8-14(17)15(20)7-11(13)3/h7-8,10,12,18,20H,4-6,9,17H2,1-3H3.
What are the key properties of 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide?
5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-methyl-N-piperidin-3-yl-N-propan-2-ylbenzamide is sourced from PubChem (CID 143821382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).