[4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate

C18H27N3O3 — CID 174932806

IUPAC[4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)17(23)24-21-10-8-14(9-11-21)16(22)20-15-6-4-13(12-19)5-7-15/h4-7,14H,8-12,19H2,1-3H3,(H,20,22)
InChIKeyHCLYFUIQEJRNKU-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.30
Rot. Bonds4

About [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174932806) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174932806
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)17(23)24-21-10-8-14(9-11-21)16(22)20-15-6-4-13(12-19)5-7-15/h4-7,14H,8-12,19H2,1-3H3,(H,20,22)
InChIKeyHCLYFUIQEJRNKU-UHFFFAOYSA-N
XLogP2.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
[4-[[5-(aminomethyl)-2-bromo-4-chlorophenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174504323
1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 61440098
[4-[[2-bromo-4-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174544278
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate
CID 46560459
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174578442
[4-[(4-bromophenyl)methyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174733919

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174932806) is [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(C(=O)Nc2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is HCLYFUIQEJRNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)17(23)24-21-10-8-14(9-11-21)16(22)20-15-6-4-13(12-19)5-7-15/h4-7,14H,8-12,19H2,1-3H3,(H,20,22).
What are the key properties of [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 333.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(aminomethyl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174932806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).