3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide

C24H31N3O2 — CID 47012254

IUPAC3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)N1CCCCC1
InChIInChI=1S/C24H31N3O2/c1-24(2,27-12-6-3-7-13-27)16-25-23(29)20-14-18-8-4-5-9-19(18)15-21(20)26-22(28)17-10-11-17/h4-5,8-9,14-15,17H,3,6-7,10-13,16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyGKGQTMUOXKMHMO-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.18
Rot. Bonds6

About 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide (PubChem CID 47012254) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
PubChem CID47012254
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
SMILESCC(C)(CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)N1CCCCC1
InChIInChI=1S/C24H31N3O2/c1-24(2,27-12-6-3-7-13-27)16-25-23(29)20-14-18-8-4-5-9-19(18)15-21(20)26-22(28)17-10-11-17/h4-5,8-9,14-15,17H,3,6-7,10-13,16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyGKGQTMUOXKMHMO-UHFFFAOYSA-N
XLogP4.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide
CID 30889082
3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656
2-bromo-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51148947
3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
CID 166393096
3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
CID 24595212
3-(cyclopropanecarbonylamino)-N-(3-methyl-2-morpholin-4-ylbutyl)naphthalene-2-carboxamide
CID 55519412
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
CID 7131661
3-(cyclopropanecarbonylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)naphthalene-2-carboxamide
CID 25430851
2-hydroxy-4-methoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51186865
N-(2-methyl-2-piperidin-1-ylpropyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55834063
N-[3-(3-hydroxypiperidine-1-carbonyl)naphthalen-2-yl]cyclopropanecarboxamide
CID 110880058

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide (CID 47012254) is 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide is CC(C)(CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)N1CCCCC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide?
The InChIKey is GKGQTMUOXKMHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-24(2,27-12-6-3-7-13-27)16-25-23(29)20-14-18-8-4-5-9-19(18)15-21(20)26-22(28)17-10-11-17/h4-5,8-9,14-15,17H,3,6-7,10-13,16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 47012254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).