N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide

C16H28N4O3 — CID 120938428

IUPACN-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C16H28N4O3/c1-11(15(21)18-13-3-4-13)19-6-8-20(9-7-19)16(22)14-12(2)23-10-5-17-14/h11-14,17H,3-10H2,1-2H3,(H,18,21)/t11?,12-,14+/m1/s1
InChIKeyRXOKSNQDMYANHK-AOUZGSJDSA-N
MW324.43 g/mol
LogP-0.83
Rot. Bonds4

About N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide (PubChem CID 120938428) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide
PubChem CID120938428
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC NameN-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1
InChIInChI=1S/C16H28N4O3/c1-11(15(21)18-13-3-4-13)19-6-8-20(9-7-19)16(22)14-12(2)23-10-5-17-14/h11-14,17H,3-10H2,1-2H3,(H,18,21)/t11?,12-,14+/m1/s1
InChIKeyRXOKSNQDMYANHK-AOUZGSJDSA-N
XLogP-0.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
N-cyclopropyl-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]propanamide
CID 119839089
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
CID 120928753
N-cyclopropyl-2-[4-(piperidine-4-carbonyl)piperazin-1-yl]propanamide;dihydrochloride
CID 119839032
N-cyclopropyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
CID 119839022
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 120941906
[(2R,3S)-2-methylmorpholin-3-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120932218

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide (CID 120938428) is N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)[C@H]2NCCO[C@@H]2C)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide?
The InChIKey is RXOKSNQDMYANHK-AOUZGSJDSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-11(15(21)18-13-3-4-13)19-6-8-20(9-7-19)16(22)14-12(2)23-10-5-17-14/h11-14,17H,3-10H2,1-2H3,(H,18,21)/t11?,12-,14+/m1/s1.
What are the key properties of N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide has a molecular weight of 324.43 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 120938428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).