N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide

C26H33N5O2 — CID 50828082

IUPACN-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cnc1N1CCNCC1)C1CC1
InChIInChI=1S/C26H33N5O2/c32-25(21-6-7-21)29-23-17-22(18-28-24(23)30-14-10-27-11-15-30)26(33)31-12-8-20(9-13-31)16-19-4-2-1-3-5-19/h1-5,17-18,20-21,27H,6-16H2,(H,29,32)
InChIKeyQIQFFFRMQWYYMQ-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.93
Rot. Bonds6

About N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide

N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 50828082) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide
PubChem CID50828082
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cnc1N1CCNCC1)C1CC1
InChIInChI=1S/C26H33N5O2/c32-25(21-6-7-21)29-23-17-22(18-28-24(23)30-14-10-27-11-15-30)26(33)31-12-8-20(9-13-31)16-19-4-2-1-3-5-19/h1-5,17-18,20-21,27H,6-16H2,(H,29,32)
InChIKeyQIQFFFRMQWYYMQ-UHFFFAOYSA-N
XLogP2.93
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
CID 110855826
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
CID 113015446
(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847507
N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 56765140
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
6-(4-benzylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056744

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide (CID 50828082) is N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cnc1N1CCNCC1)C1CC1.
What is the InChIKey of N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is QIQFFFRMQWYYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c32-25(21-6-7-21)29-23-17-22(18-28-24(23)30-14-10-27-11-15-30)26(33)31-12-8-20(9-13-31)16-19-4-2-1-3-5-19/h1-5,17-18,20-21,27H,6-16H2,(H,29,32).
What are the key properties of N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide?
N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 447.58 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 50828082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).