N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride

C20H30ClN3O3 — CID 119778203

IUPACN-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC(C)C2CCNCC2)c(C(=O)NC2CC2)c1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-13(14-7-9-21-10-8-14)11-19(24)23-18-6-5-16(26-2)12-17(18)20(25)22-15-3-4-15;/h5-6,12-15,21H,3-4,7-11H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyBXMZQPMAJYBMGL-UHFFFAOYSA-N
MW395.93 g/mol
LogP2.97
Rot. Bonds7

About N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride

N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride (PubChem CID 119778203) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
PubChem CID119778203
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)CC(C)C2CCNCC2)c(C(=O)NC2CC2)c1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-13(14-7-9-21-10-8-14)11-19(24)23-18-6-5-16(26-2)12-17(18)20(25)22-15-3-4-15;/h5-6,12-15,21H,3-4,7-11H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyBXMZQPMAJYBMGL-UHFFFAOYSA-N
XLogP2.97
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181
N-cyclopropyl-5-methoxy-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119778208
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
CID 119320449
N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119778200
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
CID 120500588
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669352
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119778177
3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119743545
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride (CID 119778203) is N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride is COc1ccc(NC(=O)CC(C)C2CCNCC2)c(C(=O)NC2CC2)c1.Cl.
What is the InChIKey of N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride?
The InChIKey is BXMZQPMAJYBMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-13(14-7-9-21-10-8-14)11-19(24)23-18-6-5-16(26-2)12-17(18)20(25)22-15-3-4-15;/h5-6,12-15,21H,3-4,7-11H2,1-2H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride?
N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methoxy-2-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119778203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).