1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea

C32H52N4O2 — CID 143953727

IUPAC1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
SMILESCc1ccc2c(c1)C(NC(=O)N(C)C)CC1(CCN(C)CC1)C2.O=CC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C19H29N3O.C13H23NO/c1-14-5-6-15-12-19(7-9-22(4)10-8-19)13-17(16(15)11-14)20-18(23)21(2)3;15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h5-6,11,17H,7-10,12-13H2,1-4H3,(H,20,23);11-13H,1-10H2
InChIKeyUEFXWDNHSYTJOM-UHFFFAOYSA-N
MW524.79 g/mol
LogP5.44
Rot. Bonds4

About 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea

1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea (PubChem CID 143953727) has the molecular formula C32H52N4O2 and a molecular weight of 524.79 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
PubChem CID143953727
Molecular FormulaC32H52N4O2
Molecular Weight524.79 g/mol
Exact Mass524.41
IUPAC Name1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea
SMILESCc1ccc2c(c1)C(NC(=O)N(C)C)CC1(CCN(C)CC1)C2.O=CC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C19H29N3O.C13H23NO/c1-14-5-6-15-12-19(7-9-22(4)10-8-19)13-17(16(15)11-14)20-18(23)21(2)3;15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h5-6,11,17H,7-10,12-13H2,1-4H3,(H,20,23);11-13H,1-10H2
InChIKeyUEFXWDNHSYTJOM-UHFFFAOYSA-N
XLogP5.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.79
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
The IUPAC name of 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea (CID 143953727) is 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea.
What is the SMILES notation for 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
The canonical SMILES for 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea is Cc1ccc2c(c1)C(NC(=O)N(C)C)CC1(CCN(C)CC1)C2.O=CC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
The InChIKey is UEFXWDNHSYTJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.C13H23NO/c1-14-5-6-15-12-19(7-9-22(4)10-8-19)13-17(16(15)11-14)20-18(23)21(2)3;15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h5-6,11,17H,7-10,12-13H2,1-4H3,(H,20,23);11-13H,1-10H2.
What are the key properties of 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea?
1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea has a molecular weight of 524.79 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)piperidine-4-carbaldehyde;3-(1',7-dimethylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)-1,1-dimethylurea is sourced from PubChem (CID 143953727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).