1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide

C13H18ClN3O — CID 43169014

IUPAC1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-2-1-9(7-12(11)15)8-17-5-3-10(4-6-17)13(16)18/h1-2,7,10H,3-6,8,15H2,(H2,16,18)
InChIKeyPACHUIMVKLPACJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.62
Rot. Bonds3

About 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide

1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 43169014) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID43169014
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-2-1-9(7-12(11)15)8-17-5-3-10(4-6-17)13(16)18/h1-2,7,10H,3-6,8,15H2,(H2,16,18)
InChIKeyPACHUIMVKLPACJ-UHFFFAOYSA-N
XLogP1.62
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 45109747
1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 783332
sodium 4-[(4-carbamoylpiperidin-1-yl)methyl]phenolate
CID 57448397
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696145
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 61219359
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-[(4-chloro-3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 103795236
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide (CID 43169014) is 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccc(Cl)c(N)c2)CC1.
What is the InChIKey of 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is PACHUIMVKLPACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-2-1-9(7-12(11)15)8-17-5-3-10(4-6-17)13(16)18/h1-2,7,10H,3-6,8,15H2,(H2,16,18).
What are the key properties of 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide?
1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43169014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).