N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide

C21H28N4O — CID 97195958

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
SMILESO=C(NCCCn1nccc1C1CC1)c1cccc([C@H]2CCCNC2)c1
InChIInChI=1S/C21H28N4O/c26-21(18-5-1-4-17(14-18)19-6-2-10-22-15-19)23-11-3-13-25-20(9-12-24-25)16-7-8-16/h1,4-5,9,12,14,16,19,22H,2-3,6-8,10-11,13,15H2,(H,23,26)/t19-/m0/s1
InChIKeyYHEZACKMQNUYFH-IBGZPJMESA-N
MW352.48 g/mol
LogP3.05
Rot. Bonds7

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide (PubChem CID 97195958) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
PubChem CID97195958
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
SMILESO=C(NCCCn1nccc1C1CC1)c1cccc([C@H]2CCCNC2)c1
InChIInChI=1S/C21H28N4O/c26-21(18-5-1-4-17(14-18)19-6-2-10-22-15-19)23-11-3-13-25-20(9-12-24-25)16-7-8-16/h1,4-5,9,12,14,16,19,22H,2-3,6-8,10-11,13,15H2,(H,23,26)/t19-/m0/s1
InChIKeyYHEZACKMQNUYFH-IBGZPJMESA-N
XLogP3.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-piperidin-3-ylbenzamide
CID 172654408
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
CID 56913832
N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97200911
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-piperidin-3-ylbenzamide
CID 77086327
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 99939569
4-fluoro-N-[2-[[2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]ethyl]benzamide
CID 126431022
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97195563
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97186489
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-3-piperidin-3-ylbenzamide
CID 77097142

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide (CID 97195958) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide is O=C(NCCCn1nccc1C1CC1)c1cccc([C@H]2CCCNC2)c1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is YHEZACKMQNUYFH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(18-5-1-4-17(14-18)19-6-2-10-22-15-19)23-11-3-13-25-20(9-12-24-25)16-7-8-16/h1,4-5,9,12,14,16,19,22H,2-3,6-8,10-11,13,15H2,(H,23,26)/t19-/m0/s1.
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 97195958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).