N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride

C18H26ClN3O2 — CID 119698223

IUPACN-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
SMILESCl.O=C(NC1CCN(C(=O)CNCC2CC2)CC1)c1ccccc1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(13-19-12-14-6-7-14)21-10-8-16(9-11-21)20-18(23)15-4-2-1-3-5-15;/h1-5,14,16,19H,6-13H2,(H,20,23);1H
InChIKeyYRKSKMMUADTNGG-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.83
Rot. Bonds6

About N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride

N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride (PubChem CID 119698223) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
PubChem CID119698223
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride
SMILESCl.O=C(NC1CCN(C(=O)CNCC2CC2)CC1)c1ccccc1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(13-19-12-14-6-7-14)21-10-8-16(9-11-21)20-18(23)15-4-2-1-3-5-15;/h1-5,14,16,19H,6-13H2,(H,20,23);1H
InChIKeyYRKSKMMUADTNGG-UHFFFAOYSA-N
XLogP1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]benzamide
CID 119949242
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]benzamide;hydrochloride
CID 91641898
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]benzamide
CID 24645620
2-(cyclopropylmethylamino)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119763651
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride (CID 119698223) is N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride is Cl.O=C(NC1CCN(C(=O)CNCC2CC2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is YRKSKMMUADTNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c22-17(13-19-12-14-6-7-14)21-10-8-16(9-11-21)20-18(23)15-4-2-1-3-5-15;/h1-5,14,16,19H,6-13H2,(H,20,23);1H.
What are the key properties of N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride?
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119698223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).