4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide

C19H30N4O2 — CID 99715065

IUPAC4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide
SMILESCC1(C)C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C(C)(C)O1
InChIInChI=1S/C19H30N4O2/c1-18(2)13-16(19(3,4)25-18)21-17(24)23-11-9-22(10-12-23)14-15-7-5-6-8-20-15/h5-8,16H,9-14H2,1-4H3,(H,21,24)/t16-/m0/s1
InChIKeyDXOKIHZPUSZJDZ-INIZCTEOSA-N
MW346.48 g/mol
LogP2.25
Rot. Bonds3

About 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide

4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide (PubChem CID 99715065) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide
PubChem CID99715065
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide
SMILESCC1(C)C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C(C)(C)O1
InChIInChI=1S/C19H30N4O2/c1-18(2)13-16(19(3,4)25-18)21-17(24)23-11-9-22(10-12-23)14-15-7-5-6-8-20-15/h5-8,16H,9-14H2,1-4H3,(H,21,24)/t16-/m0/s1
InChIKeyDXOKIHZPUSZJDZ-INIZCTEOSA-N
XLogP2.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714063
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160
N-[3-(dimethylamino)propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113106252
N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86816169
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide (CID 99715065) is 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide is CC1(C)C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C(C)(C)O1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide?
The InChIKey is DXOKIHZPUSZJDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-18(2)13-16(19(3,4)25-18)21-17(24)23-11-9-22(10-12-23)14-15-7-5-6-8-20-15/h5-8,16H,9-14H2,1-4H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide?
4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 99715065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).