(3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one

C17H29N5O3 — CID 167012050

IUPAC(3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
SMILESN[C@H]1CCCN(CC(=O)N2CCN(C(=O)C3CCNCC3)CC2)C1=O
InChIInChI=1S/C17H29N5O3/c18-14-2-1-7-22(17(14)25)12-15(23)20-8-10-21(11-9-20)16(24)13-3-5-19-6-4-13/h13-14,19H,1-12,18H2/t14-/m0/s1
InChIKeyBOCGWWIQQHWSKI-AWEZNQCLSA-N
MW351.45 g/mol
LogP-1.39
Rot. Bonds3

About (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one

(3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one (PubChem CID 167012050) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
PubChem CID167012050
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name(3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
SMILESN[C@H]1CCCN(CC(=O)N2CCN(C(=O)C3CCNCC3)CC2)C1=O
InChIInChI=1S/C17H29N5O3/c18-14-2-1-7-22(17(14)25)12-15(23)20-8-10-21(11-9-20)16(24)13-3-5-19-6-4-13/h13-14,19H,1-12,18H2/t14-/m0/s1
InChIKeyBOCGWWIQQHWSKI-AWEZNQCLSA-N
XLogP-1.39
TPSA98.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one?
The IUPAC name of (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one (CID 167012050) is (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one is N[C@H]1CCCN(CC(=O)N2CCN(C(=O)C3CCNCC3)CC2)C1=O.
What is the InChIKey of (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one?
The InChIKey is BOCGWWIQQHWSKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N5O3/c18-14-2-1-7-22(17(14)25)12-15(23)20-8-10-21(11-9-20)16(24)13-3-5-19-6-4-13/h13-14,19H,1-12,18H2/t14-/m0/s1.
What are the key properties of (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one?
(3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one has a molecular weight of 351.45 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[2-oxo-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 167012050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).