N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C25H24Cl2N2O2 — CID 27418677

IUPACN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H24Cl2N2O2/c1-16(20-10-9-19(26)15-23(20)27)28-24(30)18-11-13-29(14-12-18)25(31)22-8-4-6-17-5-2-3-7-21(17)22/h2-10,15-16,18H,11-14H2,1H3,(H,28,30)/t16-/m0/s1
InChIKeyBKZWFLMQDOXWBM-INIZCTEOSA-N
MW455.39 g/mol
LogP5.88
Rot. Bonds4

About N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 27418677) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID27418677
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H24Cl2N2O2/c1-16(20-10-9-19(26)15-23(20)27)28-24(30)18-11-13-29(14-12-18)25(31)22-8-4-6-17-5-2-3-7-21(17)22/h2-10,15-16,18H,11-14H2,1H3,(H,28,30)/t16-/m0/s1
InChIKeyBKZWFLMQDOXWBM-INIZCTEOSA-N
XLogP5.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
N-[1-(2,4-dichlorophenyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 17485493
1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 46597648
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27853385
1-(2,2-dimethylpropanoyl)-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 46809447
N-[2-chloro-5-(propanoylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55798979
[(2R)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7785320
N-(1-aminohexan-2-yl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119665465
N-(3-aminopropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 119405475

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 27418677) is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is BKZWFLMQDOXWBM-INIZCTEOSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c1-16(20-10-9-19(26)15-23(20)27)28-24(30)18-11-13-29(14-12-18)25(31)22-8-4-6-17-5-2-3-7-21(17)22/h2-10,15-16,18H,11-14H2,1H3,(H,28,30)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 455.39 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 27418677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).