2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide

C20H38N4O — CID 134505539

IUPAC2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide
SMILESCCN1CCN(CC2(NC(=O)CC3CC3)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-4-22-11-13-23(14-12-22)16-20(21-19(25)15-18-5-6-18)7-9-24(10-8-20)17(2)3/h17-18H,4-16H2,1-3H3,(H,21,25)
InChIKeyFYCGGFZHGUVZDT-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.78
Rot. Bonds7

About 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide

2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide (PubChem CID 134505539) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide
PubChem CID134505539
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide
SMILESCCN1CCN(CC2(NC(=O)CC3CC3)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-4-22-11-13-23(14-12-22)16-20(21-19(25)15-18-5-6-18)7-9-24(10-8-20)17(2)3/h17-18H,4-16H2,1-3H3,(H,21,25)
InChIKeyFYCGGFZHGUVZDT-UHFFFAOYSA-N
XLogP1.78
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane
CID 142326806
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505512
3-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]pyridine-2-carboxamide
CID 134505692
N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide
CID 134435220
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
CID 134434518
propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505525
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;cyclopropylmethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;2-methylpropyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 158598556
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 134505524
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea
CID 138463249

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide (CID 134505539) is 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide is CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide?
The InChIKey is FYCGGFZHGUVZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-4-22-11-13-23(14-12-22)16-20(21-19(25)15-18-5-6-18)7-9-24(10-8-20)17(2)3/h17-18H,4-16H2,1-3H3,(H,21,25).
What are the key properties of 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide?
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide has a molecular weight of 350.55 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide is sourced from PubChem (CID 134505539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).