[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone

C23H29NO — CID 134203310

IUPAC[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone
SMILESC=C/C=C\C=C(/C)c1ccc(C(=O)[C@@H]2CCCN(CC3CC3)C2)cc1
InChIInChI=1S/C23H29NO/c1-3-4-5-7-18(2)20-11-13-21(14-12-20)23(25)22-8-6-15-24(17-22)16-19-9-10-19/h3-5,7,11-14,19,22H,1,6,8-10,15-17H2,2H3/b5-4-,18-7+/t22-/m1/s1
InChIKeyMXTXKBQQSJGMPE-ZWWZXQGUSA-N
MW335.49 g/mol
LogP5.14
Rot. Bonds7

About [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone

[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone (PubChem CID 134203310) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone
PubChem CID134203310
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone
SMILESC=C/C=C\C=C(/C)c1ccc(C(=O)[C@@H]2CCCN(CC3CC3)C2)cc1
InChIInChI=1S/C23H29NO/c1-3-4-5-7-18(2)20-11-13-21(14-12-20)23(25)22-8-6-15-24(17-22)16-19-9-10-19/h3-5,7,11-14,19,22H,1,6,8-10,15-17H2,2H3/b5-4-,18-7+/t22-/m1/s1
InChIKeyMXTXKBQQSJGMPE-ZWWZXQGUSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone with MolForge

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Related Compounds

(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
CID 121479163
[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone
CID 121479292
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
CID 121479074
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479119
(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
N-methyl-2-[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95551255
[4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone
CID 116917513
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone?
The IUPAC name of [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone (CID 134203310) is [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone.
What is the SMILES notation for [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone?
The canonical SMILES for [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone is C=C/C=C\C=C(/C)c1ccc(C(=O)[C@@H]2CCCN(CC3CC3)C2)cc1.
What is the InChIKey of [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone?
The InChIKey is MXTXKBQQSJGMPE-ZWWZXQGUSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-4-5-7-18(2)20-11-13-21(14-12-20)23(25)22-8-6-15-24(17-22)16-19-9-10-19/h3-5,7,11-14,19,22H,1,6,8-10,15-17H2,2H3/b5-4-,18-7+/t22-/m1/s1.
What are the key properties of [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone?
[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone has a molecular weight of 335.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone is sourced from PubChem (CID 134203310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).