N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide

C13H26N4O — CID 43373704

IUPACN-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NC1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C13H26N4O/c1-11(17-9-5-14-6-10-17)13(18)15-12-3-7-16(2)8-4-12/h11-12,14H,3-10H2,1-2H3,(H,15,18)
InChIKeyAYYYBUBHWOXUBK-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.51
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide

N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide (PubChem CID 43373704) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
PubChem CID43373704
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)NC1CCN(C)CC1)N1CCNCC1
InChIInChI=1S/C13H26N4O/c1-11(17-9-5-14-6-10-17)13(18)15-12-3-7-16(2)8-4-12/h11-12,14H,3-10H2,1-2H3,(H,15,18)
InChIKeyAYYYBUBHWOXUBK-UHFFFAOYSA-N
XLogP-0.51
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115733
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
CID 119925326
N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745
N-(1,1-dioxothian-3-yl)-2-piperazin-1-ylpropanamide
CID 63924147
N-(2-methylcyclopropyl)-2-piperazin-1-ylpropanamide
CID 62408631
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
2-hydroxy-N-(1-methylpiperidin-4-yl)propanamide
CID 115140450
N-(3-ethylcyclohexyl)-2-piperazin-1-ylpropanamide
CID 64743330
2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
2-(7-methyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid
CID 58654629
N-cyclopropyl-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119839032
N-cyclopropyl-2-(3-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119924485

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide (CID 43373704) is N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide is CC(C(=O)NC1CCN(C)CC1)N1CCNCC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide?
The InChIKey is AYYYBUBHWOXUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(17-9-5-14-6-10-17)13(18)15-12-3-7-16(2)8-4-12/h11-12,14H,3-10H2,1-2H3,(H,15,18).
What are the key properties of N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide?
N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide has a molecular weight of 254.38 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 43373704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).