2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide

C19H38N4O — CID 154671120

IUPAC2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(CCCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O/c1-16(2)19(24)20-18-6-10-21(11-7-18)8-5-9-22-12-14-23(15-13-22)17(3)4/h16-18H,5-15H2,1-4H3,(H,20,24)
InChIKeyPYFHJBRPMCIVKW-UHFFFAOYSA-N
MW338.54 g/mol
LogP1.64
Rot. Bonds7

About 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide (PubChem CID 154671120) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide
PubChem CID154671120
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC Name2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(CCCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O/c1-16(2)19(24)20-18-6-10-21(11-7-18)8-5-9-22-12-14-23(15-13-22)17(3)4/h16-18H,5-15H2,1-4H3,(H,20,24)
InChIKeyPYFHJBRPMCIVKW-UHFFFAOYSA-N
XLogP1.64
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
1-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)-2-methylpropan-1-one
CID 53242130
1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
2-methyl-N-(piperidin-3-yl)propanamide
CID 20118171
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
2-methyl-N-[1-(propan-2-yl)piperidin-4-yl]propanamide
CID 25236583
2-methyl-N-(1-propylpiperidin-4-yl)propanamide
CID 25236862
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
1-butanoyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501182
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
(6S)-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide (CID 154671120) is 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(CCCN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide?
The InChIKey is PYFHJBRPMCIVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-16(2)19(24)20-18-6-10-21(11-7-18)8-5-9-22-12-14-23(15-13-22)17(3)4/h16-18H,5-15H2,1-4H3,(H,20,24).
What are the key properties of 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide has a molecular weight of 338.54 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 154671120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).