N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide

C19H34N4O3 — CID 97344660

IUPACN,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C19H34N4O3/c1-3-20(4-2)19(25)22-12-10-21(11-13-22)17-6-5-9-23(18(17)24)16-7-14-26-15-8-16/h16-17H,3-15H2,1-2H3/t17-/m0/s1
InChIKeyXAIPAWWITMUMOR-KRWDZBQOSA-N
MW366.51 g/mol
LogP1.24
Rot. Bonds4

About N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide

N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide (PubChem CID 97344660) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
PubChem CID97344660
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC NameN,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C19H34N4O3/c1-3-20(4-2)19(25)22-12-10-21(11-13-22)17-6-5-9-23(18(17)24)16-7-14-26-15-8-16/h16-17H,3-15H2,1-2H3/t17-/m0/s1
InChIKeyXAIPAWWITMUMOR-KRWDZBQOSA-N
XLogP1.24
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide (CID 97344660) is N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN([C@H]2CCCN(C3CCOCC3)C2=O)CC1.
What is the InChIKey of N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide?
The InChIKey is XAIPAWWITMUMOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-3-20(4-2)19(25)22-12-10-21(11-13-22)17-6-5-9-23(18(17)24)16-7-14-26-15-8-16/h16-17H,3-15H2,1-2H3/t17-/m0/s1.
What are the key properties of N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide?
N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 97344660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).