2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide

C19H28ClN3O2 — CID 119826401

IUPAC2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C1CCNCC1
InChIInChI=1S/C19H28ClN3O2/c1-4-11-23(15-7-9-21-10-8-15)19(25)16-12-14(5-6-17(16)20)22-18(24)13(2)3/h5-6,12-13,15,21H,4,7-11H2,1-3H3,(H,22,24)
InChIKeyUWPSVSHPBOTFCB-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.54
Rot. Bonds6

About 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide

2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119826401) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119826401
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C1CCNCC1
InChIInChI=1S/C19H28ClN3O2/c1-4-11-23(15-7-9-21-10-8-15)19(25)16-12-14(5-6-17(16)20)22-18(24)13(2)3/h5-6,12-13,15,21H,4,7-11H2,1-3H3,(H,22,24)
InChIKeyUWPSVSHPBOTFCB-UHFFFAOYSA-N
XLogP3.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3,3-dimethylbutanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119533243
4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119532098
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165
2-chloro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826015
2-chloro-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300545
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120553451
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
CID 11162642
4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 60807794
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide (CID 119826401) is 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C1CCNCC1.
What is the InChIKey of 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is UWPSVSHPBOTFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-4-11-23(15-7-9-21-10-8-15)19(25)16-12-14(5-6-17(16)20)22-18(24)13(2)3/h5-6,12-13,15,21H,4,7-11H2,1-3H3,(H,22,24).
What are the key properties of 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide?
2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 365.91 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119826401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).