N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide

C26H41N3O2 — CID 42378388

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@@H]2CCCN(C(=O)CCCCc3ccccc3)C2)CC1
InChIInChI=1S/C26H41N3O2/c1-27-19-16-24(17-20-27)28(2)25(30)15-14-23-12-8-18-29(21-23)26(31)13-7-6-11-22-9-4-3-5-10-22/h3-5,9-10,23-24H,6-8,11-21H2,1-2H3/t23-/m0/s1
InChIKeyPJQKRKLJFCSZMG-QHCPKHFHSA-N
MW427.63 g/mol
LogP3.97
Rot. Bonds9

About N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide (PubChem CID 42378388) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide
PubChem CID42378388
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@@H]2CCCN(C(=O)CCCCc3ccccc3)C2)CC1
InChIInChI=1S/C26H41N3O2/c1-27-19-16-24(17-20-27)28(2)25(30)15-14-23-12-8-18-29(21-23)26(31)13-7-6-11-22-9-4-3-5-10-22/h3-5,9-10,23-24H,6-8,11-21H2,1-2H3/t23-/m0/s1
InChIKeyPJQKRKLJFCSZMG-QHCPKHFHSA-N
XLogP3.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45168903
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 45247849
methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459961
methyl 5-oxo-5-[(3S)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459965
3-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45238368
3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42360456
3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669
3-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45186883
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide (CID 42378388) is N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide is CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(C(=O)CCCCc3ccccc3)C2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide?
The InChIKey is PJQKRKLJFCSZMG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-27-19-16-24(17-20-27)28(2)25(30)15-14-23-12-8-18-29(21-23)26(31)13-7-6-11-22-9-4-3-5-10-22/h3-5,9-10,23-24H,6-8,11-21H2,1-2H3/t23-/m0/s1.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide has a molecular weight of 427.63 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 42378388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).