N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide

C21H34N4O — CID 60504127

IUPACN-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide
SMILESCN(CCCNC(=O)CN1CCCC(N2CCCC2)C1)c1ccccc1
InChIInChI=1S/C21H34N4O/c1-23(19-9-3-2-4-10-19)13-8-12-22-21(26)18-24-14-7-11-20(17-24)25-15-5-6-16-25/h2-4,9-10,20H,5-8,11-18H2,1H3,(H,22,26)
InChIKeyNGVNLVVRXCUYLV-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.19
Rot. Bonds8

About N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide

N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide (PubChem CID 60504127) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide
PubChem CID60504127
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide
SMILESCN(CCCNC(=O)CN1CCCC(N2CCCC2)C1)c1ccccc1
InChIInChI=1S/C21H34N4O/c1-23(19-9-3-2-4-10-19)13-8-12-22-21(26)18-24-14-7-11-20(17-24)25-15-5-6-16-25/h2-4,9-10,20H,5-8,11-18H2,1H3,(H,22,26)
InChIKeyNGVNLVVRXCUYLV-UHFFFAOYSA-N
XLogP2.19
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 60503613
N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
CID 29008728
2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 25344786
3-methyl-N-[3-(N-methylanilino)propyl]piperidine-1-carboxamide
CID 115583169
(3S)-1-ethylsulfonyl-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 94782843
2-(4-aminopiperidin-1-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 79323412
2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 95297143
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 17422605
N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 30964057
2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 97080531
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 26178020

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide (CID 60504127) is N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide is CN(CCCNC(=O)CN1CCCC(N2CCCC2)C1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
The InChIKey is NGVNLVVRXCUYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-23(19-9-3-2-4-10-19)13-8-12-22-21(26)18-24-14-7-11-20(17-24)25-15-5-6-16-25/h2-4,9-10,20H,5-8,11-18H2,1H3,(H,22,26).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide?
N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide has a molecular weight of 358.53 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 60504127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).