N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide

C19H29N5O3 — CID 94168440

IUPACN-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cn1
InChIInChI=1S/C19H29N5O3/c1-3-22(4-2)17-8-7-15(14-20-17)21-19(26)24-11-9-23(10-12-24)18(25)16-6-5-13-27-16/h7-8,14,16H,3-6,9-13H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyUKEZSJRILVIYFW-MRXNPFEDSA-N
MW375.47 g/mol
LogP1.78
Rot. Bonds5

About N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide

N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide (PubChem CID 94168440) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
PubChem CID94168440
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cn1
InChIInChI=1S/C19H29N5O3/c1-3-22(4-2)17-8-7-15(14-20-17)21-19(26)24-11-9-23(10-12-24)18(25)16-6-5-13-27-16/h7-8,14,16H,3-6,9-13H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyUKEZSJRILVIYFW-MRXNPFEDSA-N
XLogP1.78
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439
1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide
CID 53499400
N'-[[6-(diethylamino)-3-pyridinyl]methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302650
N-[4-(diethylamino)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113008099
N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55784217
N-[6-(diethylamino)-3-pyridinyl]-5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 96551183
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 47032814
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
CID 97247477
4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 60591485
N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60543369

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide (CID 94168440) is N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide is CCN(CC)c1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
The InChIKey is UKEZSJRILVIYFW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-22(4-2)17-8-7-15(14-20-17)21-19(26)24-11-9-23(10-12-24)18(25)16-6-5-13-27-16/h7-8,14,16H,3-6,9-13H2,1-2H3,(H,21,26)/t16-/m1/s1.
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide?
N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 94168440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).