N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide

C21H27N3O — CID 163507029

IUPACN-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C21H27N3O/c1-2-13-24-14-11-17(12-15-24)16-7-9-18(10-8-16)21(25)23-20-6-4-3-5-19(20)22/h3-10,17H,2,11-15,22H2,1H3,(H,23,25)
InChIKeyCZKMYDTUOCZTJV-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.11
Rot. Bonds5

About N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide

N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide (PubChem CID 163507029) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
PubChem CID163507029
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C21H27N3O/c1-2-13-24-14-11-17(12-15-24)16-7-9-18(10-8-16)21(25)23-20-6-4-3-5-19(20)22/h3-10,17H,2,11-15,22H2,1H3,(H,23,25)
InChIKeyCZKMYDTUOCZTJV-UHFFFAOYSA-N
XLogP4.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.11
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

N-(2-aminophenyl)-4-[(1-pentylpiperidin-4-ylidene)methyl]benzamide
CID 138662403
N-(2-aminophenyl)-2,3,5,6-tetradeuterio-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]benzamide
CID 172653232
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
CID 160587911
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246
(4-methylpiperazin-1-yl)methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 22668103
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide (CID 163507029) is N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1.
What is the InChIKey of N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is CZKMYDTUOCZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-13-24-14-11-17(12-15-24)16-7-9-18(10-8-16)21(25)23-20-6-4-3-5-19(20)22/h3-10,17H,2,11-15,22H2,1H3,(H,23,25).
What are the key properties of N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide?
N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 337.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 163507029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).