1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea

C22H40N4O2 — CID 52539365

IUPAC1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea
SMILESCCN(CC)CCN(CC(C)C)C(=O)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C22H40N4O2/c1-5-24(6-2)14-15-26(18-19(3)4)22(27)23-17-20(21-11-10-16-28-21)25-12-8-7-9-13-25/h10-11,16,19-20H,5-9,12-15,17-18H2,1-4H3,(H,23,27)/t20-/m1/s1
InChIKeyKPWKRKOJJYMWRN-HXUWFJFHSA-N
MW392.59 g/mol
LogP3.82
Rot. Bonds11

About 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea

1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea (PubChem CID 52539365) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea
PubChem CID52539365
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea
SMILESCCN(CC)CCN(CC(C)C)C(=O)NC[C@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C22H40N4O2/c1-5-24(6-2)14-15-26(18-19(3)4)22(27)23-17-20(21-11-10-16-28-21)25-12-8-7-9-13-25/h10-11,16,19-20H,5-9,12-15,17-18H2,1-4H3,(H,23,27)/t20-/m1/s1
InChIKeyKPWKRKOJJYMWRN-HXUWFJFHSA-N
XLogP3.82
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
1-[(1S)-1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95273745
2-(diethylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 56538321
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114411
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 79023553
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
1-[2-[ethyl(propyl)amino]ethyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111834225
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea (CID 52539365) is 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea is CCN(CC)CCN(CC(C)C)C(=O)NC[C@H](c1ccco1)N1CCCCC1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea?
The InChIKey is KPWKRKOJJYMWRN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-5-24(6-2)14-15-26(18-19(3)4)22(27)23-17-20(21-11-10-16-28-21)25-12-8-7-9-13-25/h10-11,16,19-20H,5-9,12-15,17-18H2,1-4H3,(H,23,27)/t20-/m1/s1.
What are the key properties of 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea?
1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea has a molecular weight of 392.59 g/mol, XLogP of 3.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(2-methylpropyl)urea is sourced from PubChem (CID 52539365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).