N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C26H35N3O3 — CID 134055842

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1)N1CCOCC1
InChIInChI=1S/C26H35N3O3/c1-19(2)24(28-13-15-32-16-14-28)17-27-25(30)21-9-6-12-29(18-21)26(31)23-11-5-8-20-7-3-4-10-22(20)23/h3-5,7-8,10-11,19,21,24H,6,9,12-18H2,1-2H3,(H,27,30)
InChIKeyZCBMVRGVKMCMEK-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.16
Rot. Bonds6

About N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 134055842) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID134055842
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1)N1CCOCC1
InChIInChI=1S/C26H35N3O3/c1-19(2)24(28-13-15-32-16-14-28)17-27-25(30)21-9-6-12-29(18-21)26(31)23-11-5-8-20-7-3-4-10-22(20)23/h3-5,7-8,10-11,19,21,24H,6,9,12-18H2,1-2H3,(H,27,30)
InChIKeyZCBMVRGVKMCMEK-UHFFFAOYSA-N
XLogP3.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
1-(naphthalene-1-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 24542998
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46456130
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239969
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55898962

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 134055842) is N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CC(C)C(CNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZCBMVRGVKMCMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-19(2)24(28-13-15-32-16-14-28)17-27-25(30)21-9-6-12-29(18-21)26(31)23-11-5-8-20-7-3-4-10-22(20)23/h3-5,7-8,10-11,19,21,24H,6,9,12-18H2,1-2H3,(H,27,30).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 134055842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).