N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride

C21H28ClN3O2 — CID 119520156

IUPACN-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
SMILESCC(N)C1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(22)16-9-12-24(13-10-16)20(25)8-11-23-21(26)19-7-6-17-4-2-3-5-18(17)14-19;/h2-7,14-16H,8-13,22H2,1H3,(H,23,26);1H
InChIKeyMAVZKNSIEQMBFK-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.97
Rot. Bonds5

About N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride

N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 119520156) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
PubChem CID119520156
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
SMILESCC(N)C1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(22)16-9-12-24(13-10-16)20(25)8-11-23-21(26)19-7-6-17-4-2-3-5-18(17)14-19;/h2-7,14-16H,8-13,22H2,1H3,(H,23,26);1H
InChIKeyMAVZKNSIEQMBFK-UHFFFAOYSA-N
XLogP2.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119517736
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 119516744
N-[3-[4-(3-methylbutyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55847751
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 120994616
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide
CID 31882746
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119518811
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119517349
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119519046
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119651466
N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 31886454
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride (CID 119520156) is N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride is CC(N)C1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1.Cl.
What is the InChIKey of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is MAVZKNSIEQMBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-15(22)16-9-12-24(13-10-16)20(25)8-11-23-21(26)19-7-6-17-4-2-3-5-18(17)14-19;/h2-7,14-16H,8-13,22H2,1H3,(H,23,26);1H.
What are the key properties of N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119520156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).