[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone

C14H28N4O — CID 79159617

IUPAC[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCN(CCCN)CC2)C1
InChIInChI=1S/C14H28N4O/c1-13-4-2-7-18(12-13)14(19)17-10-8-16(9-11-17)6-3-5-15/h13H,2-12,15H2,1H3
InChIKeyUMEZFLPGVLLSPN-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.80
Rot. Bonds3

About [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone

[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 79159617) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID79159617
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCN(CCCN)CC2)C1
InChIInChI=1S/C14H28N4O/c1-13-4-2-7-18(12-13)14(19)17-10-8-16(9-11-17)6-3-5-15/h13H,2-12,15H2,1H3
InChIKeyUMEZFLPGVLLSPN-UHFFFAOYSA-N
XLogP0.80
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79160343
[4-(3-aminopropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 79155437
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79152798
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79157476
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575165
3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109018325
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
3-(3-methylazecan-1-yl)propan-1-amine
CID 10680071
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79159225
N-(3-aminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79159316

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone (CID 79159617) is [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2CCN(CCCN)CC2)C1.
What is the InChIKey of [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is UMEZFLPGVLLSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-13-4-2-7-18(12-13)14(19)17-10-8-16(9-11-17)6-3-5-15/h13H,2-12,15H2,1H3.
What are the key properties of [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone?
[4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropyl)piperazin-1-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79159617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).