N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C23H39Cl2N3O — CID 119845542

IUPACN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC1CCCN(Cc2ccccc2CNC(=O)CC(C)C2CCCNC2)C1.Cl.Cl
InChIInChI=1S/C23H37N3O.2ClH/c1-18-7-6-12-26(16-18)17-22-9-4-3-8-21(22)15-25-23(27)13-19(2)20-10-5-11-24-14-20;;/h3-4,8-9,18-20,24H,5-7,10-17H2,1-2H3,(H,25,27);2*1H
InChIKeyVUODMMJWKZEVGK-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.40
Rot. Bonds7

About N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119845542) has the molecular formula C23H39Cl2N3O and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119845542
Molecular FormulaC23H39Cl2N3O
Molecular Weight444.49 g/mol
Exact Mass443.25
IUPAC NameN-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC1CCCN(Cc2ccccc2CNC(=O)CC(C)C2CCCNC2)C1.Cl.Cl
InChIInChI=1S/C23H37N3O.2ClH/c1-18-7-6-12-26(16-18)17-22-9-4-3-8-21(22)15-25-23(27)13-19(2)20-10-5-11-24-14-20;;/h3-4,8-9,18-20,24H,5-7,10-17H2,1-2H3,(H,25,27);2*1H
InChIKeyVUODMMJWKZEVGK-UHFFFAOYSA-N
XLogP4.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119846768
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
N-[(2-nitrophenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119706778
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884069
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119845542) is N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC1CCCN(Cc2ccccc2CNC(=O)CC(C)C2CCCNC2)C1.Cl.Cl.
What is the InChIKey of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is VUODMMJWKZEVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O.2ClH/c1-18-7-6-12-26(16-18)17-22-9-4-3-8-21(22)15-25-23(27)13-19(2)20-10-5-11-24-14-20;;/h3-4,8-9,18-20,24H,5-7,10-17H2,1-2H3,(H,25,27);2*1H.
What are the key properties of N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 444.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119845542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).