6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide

C21H28N4O2 — CID 146193092

IUPAC6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3cc(N)ccc3c2)CC1
InChIInChI=1S/C21H28N4O2/c1-13(22)21(27)25-9-7-15(8-10-25)14(2)24-20(26)18-4-3-17-12-19(23)6-5-16(17)11-18/h3-6,11-15H,7-10,22-23H2,1-2H3,(H,24,26)
InChIKeyPSTSOEULEUSDLW-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.13
Rot. Bonds4

About 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide

6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 146193092) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide
PubChem CID146193092
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide
SMILESCC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3cc(N)ccc3c2)CC1
InChIInChI=1S/C21H28N4O2/c1-13(22)21(27)25-9-7-15(8-10-25)14(2)24-20(26)18-4-3-17-12-19(23)6-5-16(17)11-18/h3-6,11-15H,7-10,22-23H2,1-2H3,(H,24,26)
InChIKeyPSTSOEULEUSDLW-UHFFFAOYSA-N
XLogP2.13
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide
CID 146193182
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 146193051
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-methylpyridine-4-carboxamide
CID 146193124
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 146193082
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]quinoline-2-carboxamide
CID 146193122
4-amino-N-[1-(1-methylsulfonylpiperidin-4-yl)ethyl]benzamide
CID 163630065
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3,5-diamino-N-(1-cyclopropylethyl)benzamide
CID 61094229
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
N-(1-piperidin-4-ylethyl)naphthalene-2-carboxamide
CID 43523229
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide (CID 146193092) is 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide is CC(N)C(=O)N1CCC(C(C)NC(=O)c2ccc3cc(N)ccc3c2)CC1.
What is the InChIKey of 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is PSTSOEULEUSDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-13(22)21(27)25-9-7-15(8-10-25)14(2)24-20(26)18-4-3-17-12-19(23)6-5-16(17)11-18/h3-6,11-15H,7-10,22-23H2,1-2H3,(H,24,26).
What are the key properties of 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide?
6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 146193092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).