N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide

C27H31N3O3 — CID 56555081

IUPACN-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C27H31N3O3/c31-25-12-15-30(16-13-25)19-21-7-5-20(6-8-21)18-29-26(32)11-14-28-27(33)24-10-9-22-3-1-2-4-23(22)17-24/h1-10,17,25,31H,11-16,18-19H2,(H,28,33)(H,29,32)
InChIKeyDLNAFMWSTPKYDM-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.23
Rot. Bonds8

About N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 56555081) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID56555081
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NCc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C27H31N3O3/c31-25-12-15-30(16-13-25)19-21-7-5-20(6-8-21)18-29-26(32)11-14-28-27(33)24-10-9-22-3-1-2-4-23(22)17-24/h1-10,17,25,31H,11-16,18-19H2,(H,28,33)(H,29,32)
InChIKeyDLNAFMWSTPKYDM-UHFFFAOYSA-N
XLogP3.23
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 56551816
N-[3-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55734289
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55725492
N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46481818
4-bromo-N-[3-oxo-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]propyl]benzamide
CID 41311410
4-amino-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120565344
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
4-chloro-N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]benzamide
CID 38400279
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-[4-[(2-methylpiperidin-1-yl)methyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55736297
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 56555081) is N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is DLNAFMWSTPKYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c31-25-12-15-30(16-13-25)19-21-7-5-20(6-8-21)18-29-26(32)11-14-28-27(33)24-10-9-22-3-1-2-4-23(22)17-24/h1-10,17,25,31H,11-16,18-19H2,(H,28,33)(H,29,32).
What are the key properties of N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 56555081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).