N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide

C23H37N3O — CID 119867437

IUPACN-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCC1CCN(Cc2cccc(CNC(=O)CC(C)C3CCNCC3)c2)CC1
InChIInChI=1S/C23H37N3O/c1-18-8-12-26(13-9-18)17-21-5-3-4-20(15-21)16-25-23(27)14-19(2)22-6-10-24-11-7-22/h3-5,15,18-19,22,24H,6-14,16-17H2,1-2H3,(H,25,27)
InChIKeyHXQZAAQLRFMCAE-UHFFFAOYSA-N
MW371.57 g/mol
LogP3.56
Rot. Bonds7

About N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide

N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119867437) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
PubChem CID119867437
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC NameN-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide
SMILESCC1CCN(Cc2cccc(CNC(=O)CC(C)C3CCNCC3)c2)CC1
InChIInChI=1S/C23H37N3O/c1-18-8-12-26(13-9-18)17-21-5-3-4-20(15-21)16-25-23(27)14-19(2)22-6-10-24-11-7-22/h3-5,15,18-19,22,24H,6-14,16-17H2,1-2H3,(H,25,27)
InChIKeyHXQZAAQLRFMCAE-UHFFFAOYSA-N
XLogP3.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 119867445
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847367
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-butan-2-yl-3-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119719754
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119751165
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119872755
3-piperidin-4-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869797
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119869671
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100647209
N-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119698471
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide (CID 119867437) is N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide is CC1CCN(Cc2cccc(CNC(=O)CC(C)C3CCNCC3)c2)CC1.
What is the InChIKey of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is HXQZAAQLRFMCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-18-8-12-26(13-9-18)17-21-5-3-4-20(15-21)16-25-23(27)14-19(2)22-6-10-24-11-7-22/h3-5,15,18-19,22,24H,6-14,16-17H2,1-2H3,(H,25,27).
What are the key properties of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide?
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 371.57 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119867437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).