3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C22H34ClN3O2 — CID 120578206

IUPAC3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H33N3O2.ClH/c23-14-13-21(26)24-16-20-8-4-5-15-25(20)22(27)19-11-9-18(10-12-19)17-6-2-1-3-7-17;/h9-12,17,20H,1-8,13-16,23H2,(H,24,26);1H
InChIKeyVNOFJZKOJOUXJP-UHFFFAOYSA-N
MW407.99 g/mol
LogP3.62
Rot. Bonds6

About 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578206) has the molecular formula C22H34ClN3O2 and a molecular weight of 407.99 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578206
Molecular FormulaC22H34ClN3O2
Molecular Weight407.99 g/mol
Exact Mass407.23
IUPAC Name3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H33N3O2.ClH/c23-14-13-21(26)24-16-20-8-4-5-15-25(20)22(27)19-11-9-18(10-12-19)17-6-2-1-3-7-17;/h9-12,17,20H,1-8,13-16,23H2,(H,24,26);1H
InChIKeyVNOFJZKOJOUXJP-UHFFFAOYSA-N
XLogP3.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-[4-(2-methoxyethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120579907
3-amino-N-[[1-(4-prop-2-enoxybenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579129
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578314
3-amino-N-[[1-(3-bromo-4-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578179
3-amino-N-[[1-[4-(3-methylbutoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578236
3-amino-N-[[1-[4-[butyl(methyl)amino]benzoyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578968
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
3-amino-N-[[1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578315
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578206) is 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is VNOFJZKOJOUXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2.ClH/c23-14-13-21(26)24-16-20-8-4-5-15-25(20)22(27)19-11-9-18(10-12-19)17-6-2-1-3-7-17;/h9-12,17,20H,1-8,13-16,23H2,(H,24,26);1H.
What are the key properties of 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 407.99 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).