4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide

C17H25N3O — CID 95299028

IUPAC4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCC[C@@H](N3CCCC3)C2)cc1
InChIInChI=1S/C17H25N3O/c18-17(21)15-7-5-14(6-8-15)12-19-9-3-4-16(13-19)20-10-1-2-11-20/h5-8,16H,1-4,9-13H2,(H2,18,21)/t16-/m1/s1
InChIKeyAJZXYMIONKYTCY-MRXNPFEDSA-N
MW287.41 g/mol
LogP1.85
Rot. Bonds4

About 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide

4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide (PubChem CID 95299028) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
PubChem CID95299028
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCC[C@@H](N3CCCC3)C2)cc1
InChIInChI=1S/C17H25N3O/c18-17(21)15-7-5-14(6-8-15)12-19-9-3-4-16(13-19)20-10-1-2-11-20/h5-8,16H,1-4,9-13H2,(H2,18,21)/t16-/m1/s1
InChIKeyAJZXYMIONKYTCY-MRXNPFEDSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)aniline
CID 63149912
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 79918391
N'-hydroxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 76986935
4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
CID 95775396
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]acetic acid
CID 105346116
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63170241
2-[(4-methylphenyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926733
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
2-(pyridin-4-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79006212
(9aS)-2-[[4-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839933
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide (CID 95299028) is 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCC[C@@H](N3CCCC3)C2)cc1.
What is the InChIKey of 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide?
The InChIKey is AJZXYMIONKYTCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O/c18-17(21)15-7-5-14(6-8-15)12-19-9-3-4-16(13-19)20-10-1-2-11-20/h5-8,16H,1-4,9-13H2,(H2,18,21)/t16-/m1/s1.
What are the key properties of 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide?
4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide has a molecular weight of 287.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 95299028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).