1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea

C15H29N3O — CID 100686106

IUPAC1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea
SMILESC=CC[C@H](CC)NC(=O)NC1CCN(CCC)CC1
InChIInChI=1S/C15H29N3O/c1-4-7-13(6-3)16-15(19)17-14-8-11-18(10-5-2)12-9-14/h4,13-14H,1,5-12H2,2-3H3,(H2,16,17,19)/t13-/m0/s1
InChIKeyMAHQUDLRPNKWDR-ZDUSSCGKSA-N
MW267.42 g/mol
LogP2.51
Rot. Bonds7

About 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea

1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea (PubChem CID 100686106) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea
PubChem CID100686106
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea
SMILESC=CC[C@H](CC)NC(=O)NC1CCN(CCC)CC1
InChIInChI=1S/C15H29N3O/c1-4-7-13(6-3)16-15(19)17-14-8-11-18(10-5-2)12-9-14/h4,13-14H,1,5-12H2,2-3H3,(H2,16,17,19)/t13-/m0/s1
InChIKeyMAHQUDLRPNKWDR-ZDUSSCGKSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea (CID 100686106) is 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea is C=CC[C@H](CC)NC(=O)NC1CCN(CCC)CC1.
What is the InChIKey of 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is MAHQUDLRPNKWDR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-7-13(6-3)16-15(19)17-14-8-11-18(10-5-2)12-9-14/h4,13-14H,1,5-12H2,2-3H3,(H2,16,17,19)/t13-/m0/s1.
What are the key properties of 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea?
1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 267.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-hex-5-en-3-yl]-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 100686106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).