N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide

C17H25N3O2 — CID 99942311

IUPACN-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
SMILESO=C(NC[C@@]1(O)CCNC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c21-16(19-13-17(22)8-9-18-12-17)14-4-6-15(7-5-14)20-10-2-1-3-11-20/h4-7,18,22H,1-3,8-13H2,(H,19,21)/t17-/m1/s1
InChIKeyBMTAIEMJCRDOBC-QGZVFWFLSA-N
MW303.41 g/mol
LogP1.13
Rot. Bonds4

About N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide

N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide (PubChem CID 99942311) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
PubChem CID99942311
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
SMILESO=C(NC[C@@]1(O)CCNC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c21-16(19-13-17(22)8-9-18-12-17)14-4-6-15(7-5-14)20-10-2-1-3-11-20/h4-7,18,22H,1-3,8-13H2,(H,19,21)/t17-/m1/s1
InChIKeyBMTAIEMJCRDOBC-QGZVFWFLSA-N
XLogP1.13
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 56894840
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121499472
1-[[(4-morpholin-4-ylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544308
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 154905723

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide (CID 99942311) is N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide is O=C(NC[C@@]1(O)CCNC1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide?
The InChIKey is BMTAIEMJCRDOBC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-16(19-13-17(22)8-9-18-12-17)14-4-6-15(7-5-14)20-10-2-1-3-11-20/h4-7,18,22H,1-3,8-13H2,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide?
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide has a molecular weight of 303.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 99942311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).